IngredientID 12986

Maslinic acid

C30H48O4

Relationship Network

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Experiment: 6Herb: 12Ingredient: 1Reference: 6Target: 6Links: 30

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 12986
Core Entity Id: 17602
Source Entity Count: 1
Preferred Name: Maslinic acid
Name En
Pubchem Id: 179482
Smiles Canonical: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
Molecular Formula: C30H48O4
Molecular Weight: 472.7100
Inchikey: MDZKJHQSJHYOHJ-HFYZCPLSSA-N
Inchi: InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
Isomeric Smiles: C[C@@]12CCC3[C@@](C1CC=C4C2(CCC5([C@H]4CC(CC5)(C)C)C(=O)O)C)(CC([C@@H](C3(C)C)O)O)C
Cas Id
Ob Score: 15.5420
Mol Logp: 6.2044
Num H Donors: 3
Num H Acceptors: 3
Num Rotatable Bonds: 1
Drug Likeness: 0.3970
Polar Surface Area: 40.0000
Molecular Volume: 363.0000
Alogp: 6.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

(2beta,3beta)-maslinicacid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2beta,3beta)-maslinicacid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

2-alpha,3-alpha-Dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

2-alpha,3-beta-Dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

2alpha,3alpha-dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

2alpha,3alpha-dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

2alpha,3beta-dihydroxyolean-12-en-28-oicacid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

2alpha,3beta-dihydroxyolean-12-en-28-oicacid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

2Α,3Α-Dihydroxyolean-12-En-28-Oic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

2α,3α-Dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

2α,3α-dihydroxyolean-12-en-28-oic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3-epimaslinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

3-epimaslinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Bredemolic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Bredemolic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Maslinic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Maslinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Maslinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Maslinic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

maslinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

三叶木通

Role

TCM_name

Source

TCMBank

Preferred

Name

夏枯草

Role

TCM_name

Source

TCMBank

Preferred

Name

SAN YE MU TONG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Prunella vulgaris

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Threeleaf Akebia

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2alpha,3alpha)-2,3-dihydroxyolean-12-en-28-oic acid

Role

alias

Source

HERB_v2

Preferred

Name

(2alpha,3alpha)-2,3-dihydroxyolean-12-en-28-oic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10S,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10S,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aS,6bR,10S,11R,12aR,12bR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aS,6bR,10S,11R,12aR,12bR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

2,3-Dihydroxy-12-oleanen-28-oic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2,3-Dihydroxy-12-oleanen-28-oic acid

Role

alias

Source

HERB_v2

Preferred

Name

2.alpha.,3.beta.-Dihydroxyolean-12-en-28-oic acid

Role

alias

Source

HERB_v2

Preferred

Name

2.alpha.,3.beta.-Dihydroxyolean-12-en-28-oic acid

Role

alias

Source

itcmdb_public

Preferred

Name

26563-68-8

Role

alias

Source

HERB_v2

Preferred

Name

26563-68-8

Role

alias

Source

itcmdb_public

Preferred

Name

2alpha-hydroxyoleanolic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2alpha-hydroxyoleanolic acid

Role

alias

Source

HERB_v2

Preferred

Name

3-epi-masilinic acid

Role

alias

Source

HERB_v2

Preferred

Name

3-epi-masilinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-epimaslinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-epimaslinic acid

Role

alias

Source

HERB_v2

Preferred

Name

4373-41-5

Role

alias

Source

HERB_v2

Preferred

Name

4373-41-5

Role

alias

Source

itcmdb_public

Preferred

Name

AKOS032948643

Role

alias

Source

itcmdb_public

Preferred

Name

AKOS032948643

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50346696

Role

alias

Source

itcmdb_public

Preferred

Name

BDBM50346696

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:66683

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:66683

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL383749

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL383749

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL577380

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL577380

Role

alias

Source

HERB_v2

Preferred

Name

Crataegolic acid

Role

alias

Source

HERB_v2

Preferred

Name

Crataegolic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Crategolic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Crategolic acid

Role

alias

Source

HERB_v2

Preferred

Name

E233J88OHQ

Role

alias

Source

HERB_v2

Preferred

Name

E233J88OHQ

Role

alias

Source

itcmdb_public

Preferred

Name

MDZKJHQSJHYOHJ-VCVATUJPSA-N

Role

alias

Source

HERB_v2

Preferred

Name

MDZKJHQSJHYOHJ-VCVATUJPSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

Masilinic acid

Role

alias

Source

HERB_v2

Preferred

Name

Masilinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Maslic acid

Role

alias

Source

HERB_v2

Preferred

Name

Maslic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Olean-12-en-28-oic acid, 2alpha,3alpha-dihydroxy-

Role

alias

Source

HERB_v2

Preferred

Name

Olean-12-en-28-oic acid, 2alpha,3alpha-dihydroxy-

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL5797458

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL5797458

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-E233J88OHQ

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-E233J88OHQ

Role

alias

Source

HERB_v2

Preferred

Name

epi-Maslinic acid

Role

alias

Source

HERB_v2

Preferred

Name

epi-Maslinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

1.清热泻火药(13-13)

Role

level2_name

Source

TCMBank

Preferred

Name

heat-clearing and fire-purging medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(2beta,3beta)-maslinicacid2-alpha,3-alpha-Dihydroxyolean-12-en-28-oic acid2-alpha,3-beta-Dihydroxyolean-12-en-28-oic acid2alpha,3alpha-dihydroxyolean-12-en-28-oic acid2alpha,3beta-dihydroxyolean-12-en-28-oicacid2Α,3Α-Dihydroxyolean-12-En-28-Oic Acid2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid3-epimaslinic acidBredemolic acid三叶木通夏枯草SAN YE MU TONGPrunella vulgarisThreeleaf Akebia(2alpha,3alpha)-2,3-dihydroxyolean-12-en-28-oic acid(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10S,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aS,6bR,10S,11R,12aR,12bR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid2,3-Dihydroxy-12-oleanen-28-oic acid2.alpha.,3.beta.-Dihydroxyolean-12-en-28-oic acid26563-68-82alpha-hydroxyoleanolic acid3-epi-masilinic acid4373-41-5AKOS032948643BDBM50346696CHEBI:66683CHEMBL383749CHEMBL577380Crataegolic acidCrategolic acidE233J88OHQMDZKJHQSJHYOHJ-VCVATUJPSA-NMasilinic acidMaslic acidOlean-12-en-28-oic acid, 2alpha,3alpha-dihydroxy-SCHEMBL5797458UNII-E233J88OHQepi-Maslinic acid1.清热泻火药(13-13)heat-clearing and fire-purging medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas

4373-41-583944-28-9

Hit

C0207

Herb

HBIN005143HBIN005186HBIN005231HBIN005294HBIN005377HBIN005401HBIN008488HBIN018820HBIN021661HBIN034526HBIN034527

Npass

NPC52021NPC63704NPC84319

Tcmid

1357425545272973292133962349613644937791421960576058

Tcmsp

MOL005559MOL008623MOL012969

Sym Map

SMIT01082SMIT07301SMIT13681SMIT14792SMIT18900

Tcm Id

11785119271192815511172226124

Pub Chem

179482251568782556483171632607168459573659

Tcmbank

TCMBANKIN010664TCMBANKIN038658TCMBANKIN059605

Etcm Ingredient

2-alpha,3-alpha-Dihydroxyolean-12-en-28-oic acid2-alpha,3-beta-Dihydroxyolean-12-en-28-oic acid2α,3α-dihydroxyolean-12-en-28-oic acidMaslinic acid

Itcmdb Generated

ITX-INGREDIENT-05871F0F7CF3ITX-INGREDIENT-15E5E8FA17ACITX-INGREDIENT-7B092D28ABE4ITX-INGREDIENT-82C51B1F25E8ITX-INGREDIENT-A1F7EEB2C216ITX-INGREDIENT-C62DBFAC86C8ITX-INGREDIENT-C6FBCEC5DAF2ITX-INGREDIENT-EC60114DBA60

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

In Ch I

InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27+,28-,29-,30+/m1/s1InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23+,27-,28+,29+,30-/m0/s1InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21?,22-,23-,27+,28-,29-,30+/m1/s1InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22?,23-,27-,28?,29+,30?/m0/s1

Mol Wt

472.7100000000002

Smiles

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C[C@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])=C([H])[H])C([H])([H])C3([H])[H ])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]

37 Flag

C Count

Mol Log P

6.204400000000008

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

MDZKJHQSJHYOHJ-HFYZCPLSSA-NMDZKJHQSJHYOHJ-LJJNEPIXSA-NMDZKJHQSJHYOHJ-LLICELPBSA-NMDZKJHQSJHYOHJ-RMUAHEEJSA-NMDZKJHQSJHYOHJ-SXISEVPCSA-NMDZKJHQSJHYOHJ-VCVATUJPSA-N

Ob Score

15.54215.5424686517.1265544617.12717.379609;17.126554;21.080941;15.542469

Suppress

Tcm Name

三叶木通夏枯草

Tcm Name2

SAN YE MU TONG

Mol2 Path

/TCM_database/2.清热药(64-64)/1.清热泻火药(13-13)/夏枯草/structure/maslinic acid.mol2/TCM_database/2007_3d_all/06058.mol2

Reference

4545

Num Hdonors

Tcm Name En

Prunella vulgarisThreeleaf Akebia

Level1 Name

2.清热药(64-64)

Level2 Name

1.清热泻火药(13-13)

Num H Donors

Drug Likeness

0.397

Num Hacceptors

Level1 Name En

heat-clearing medicinal

Level2 Name En

heat-clearing and fire-purging medicinal

Isomeric Smiles

C[C@@]12CCC3[C@@](C1CC=C4C2(CCC5([C@H]4CC(CC5)(C)C)C(=O)O)C)(CC([C@@H](C3(C)C)O)O)CC[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)CC[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)CC[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@H](C3(C)C)O)O)CC[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)CC[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)C

Molecule Weight

472.78

Num H Acceptors

Canonical Smiles

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C

Herb Alias Names

26563-68-8(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidOlean-12-en-28-oic acid, 2alpha,3alpha-dihydroxy-SCHEMBL5797458AKOS032948643(4aS,6aS,6bR,10S,11R,12aR,12bR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Weight

472.360

Molecular Volume

363

Molecular Weight

455472.7

Molecule Formula

C30H48O4

Molecular Formula

C30H48O4

Molecular Formula

C30H48O4C31H50O2

Molecular Formula

C30H48O4

Num Rotatable Bonds

Link Ingredient Id

7301.0

Num Rotatable Bonds

Molecular Polar Surface Area

Fda Maximum Daily Dose (Fdamdd)

0.4010.8950.9170.927

Quantitative Estimate Of Drug Likeness（Qed）

0.397