ITCMDBv1
IngredientID 11

Ginsenoside rg3

C42H72O13

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 12Ingredient: 1Reference: 12Target: 12Links: 36
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
11
Core Entity Id
98
Source Entity Count
1
Preferred Name
Ginsenoside rg3
Name En
Pubchem Id
12901617
Smiles Canonical
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H]) ([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H]) O[H])[C@]5([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H]
Molecular Formula
C42H72O13
Molecular Weight
785.0250
Inchikey
RWXIFXNRCLMQCD-UHFFFAOYSA-N
Inchi
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C
Cas Id
14197-60-5
Ob Score
12.4270
Mol Logp
2.1490
Num H Donors
9
Num H Acceptors
13
Num Rotatable Bonds
10
Drug Likeness
0.1150
Polar Surface Area
219.0000
Molecular Volume
562.0000
Alogp
2.0000

Names

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

Name
20(S)-Ginsenoside Rg3_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
20(R)-Ginsenoside Rg3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
20(R)-Ginsenoside Rg3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20(S)-Ginsenoside Rg3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20(S)-Ginsenoside Rg3_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
20(r)-ginsenoside rg3
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20(r)-ginsenoside,rg3
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
20(r)-ginsenoside-rg3
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
20(s)-ginsenoside rg3_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20(s)-ginsenoside rg3_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
20-(S)-Ginsenoside-Rg3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
20-(S)-Ginsenoside-Rg3
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
20-(S)-Ginsenoside-Rg3_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20-(s)-ginsenoside-rg3
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20-(s)-ginsenoside-rg3
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside Rg3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Rg3_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside rg(3)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside rg3
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-Rg3
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside-Rg3_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginsenoside-rg3_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-rg3_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ginsenoside Rg3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
人蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax notoginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(20R)-Ginsenoside Rg3
Role
alias
Source
HERB_v2
Preferred
No
Name
(20R)Ginsenoside Rg3
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-Propanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20S)-Propanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-ginsenoside Rg3
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
14197-60-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
14197-60-5
Role
alias
Source
HERB_v2
Preferred
No
Name
20(R)-Ginsenoside Rg3_qt
Role
alias
Source
TCMBank
Preferred
No
Name
20(R)-Ginsenoside Rg3_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
20(R)-Ginsenoside Rg3_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
20(R)-Propanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
20(R)-Propanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20(S)-Ginsenoside Rg3
Role
alias
Source
HERB_v2
Preferred
No
Name
20(S)-Propanaxidiol
Role
alias
Source
HERB_v2
Preferred
No
Name
20(S)-Propanaxidiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-(s)-ginsenoside-rg3
Role
alias
Source
TCMBank
Preferred
No
Name
38243-03-7
Role
alias
Source
HERB_v2
Preferred
No
Name
38243-03-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67990
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67990
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1095008
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1095008
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0016791
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0016791
Role
alias
Source
HERB_v2
Preferred
No
Name
Chikusetsusaponin Ia_qt
Role
alias
Source
TCMBank
Preferred
No
Name
Chikusetsusaponin Ia_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
Chikusetsusaponin Ia_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
EX-A8013R
Role
alias
Source
itcmdb_public
Preferred
No
Name
EX-A8013R
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside Rg3
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1376
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1376
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD11045225
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD11045225
Role
alias
Source
itcmdb_public
Preferred
No
Name
R-GINSENOSIDE RG3
Role
alias
Source
itcmdb_public
Preferred
No
Name
R-GINSENOSIDE RG3
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside rg3, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside rg3, (s)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside rg3, (s)-
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside- Rg3_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside- Rg3_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside- Rg3_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside-RE3
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside-RE3
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.化瘀止血药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
stasis-resolving hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

20(S)-Ginsenoside Rg3_Qt20(R)-Ginsenoside Rg320(S)-Ginsenoside Rg320(r)-ginsenoside,rg320(r)-ginsenoside-rg320-(S)-Ginsenoside-Rg320-(S)-Ginsenoside-Rg3_qtGinsenoside Rg3_QtGinsenoside rg(3)Ginsenoside-Rg3Ginsenoside-Rg3_qt三七人参人蔘REN SHENGinsengPanax ginsengPanax notoginseng(20R)-Ginsenoside Rg3(20R)Ginsenoside Rg3(20S)-Propanaxadiol(20S)-ginsenoside Rg3(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol14197-60-520(R)-Ginsenoside Rg3_qt20(R)-Propanaxadiol20(S)-Propanaxidiol38243-03-7CHEBI:67990CHEMBL1095008CS-0016791Chikusetsusaponin Ia_qtEX-A8013RHY-N1376MFCD11045225R-GINSENOSIDE RG3ginsenoside rg3, (+)-ginsenoside rg3, (s)-ginsenoside- Rg3_qtginsenoside-RE313.补虚药(60-62)7.止血药(25-26)hemostatic medicinaltonifying and replenishing medicinal1.补气药(15-15)2.化瘀止血药(5-5)qi-tonifying medicinalstasis-resolving hemostatic medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
14197-60-538243-03-7
Herb
HBIN003457HBIN003458HBIN003500HBIN003501HBIN003502HBIN003503HBIN027751HBIN027752HBIN027753
Npass
NPC120123
Tcmid
23066232732570839354393558431
Tcmsp
MOL002448MOL002449MOL005287MOL005288MOL005342MOL005343MOL007483MOL011405MOL011406MOL011453MOL011454MOL012328MOL012329MOL012334MOL012335
Sym Map
SMIT04681SMIT04682SMIT07069SMIT07070SMIT07117SMIT07118SMIT13094SMIT13095SMIT15574SMIT18301SMIT18323SMIT18942
Tcm Id
114051140611407114081140911410119781197921174247264021
Pub Chem
1290161713960035115972718157324728701468876809918693
Tcmbank
TCMBANKIN004799TCMBANKIN007456TCMBANKIN024011TCMBANKIN026758TCMBANKIN027571TCMBANKIN033299TCMBANKIN042028TCMBANKIN049854TCMBANKIN058866
Etcm Ingredient
(20R)-Ginsenoside Rg3(20S)-Ginsenoside Rg320(R)-Ginsenoside Rg320(S)-ginsenoside Rg320(r)-ginsenoside,rg320-(S)-Ginsenoside-Rg3Ginsenoside-Rg3
Itcmdb Generated
ITX-INGREDIENT-3288F9760D6BITX-INGREDIENT-385F2D4D8500ITX-INGREDIENT-6486668CA992ITX-INGREDIENT-68C3640395D6ITX-INGREDIENT-7F3D7B14A273ITX-INGREDIENT-86DE72232568ITX-INGREDIENT-A04E21D3B325ITX-INGREDIENT-AE68110053AAITX-INGREDIENT-E8E78B13D277ITX-INGREDIENT-F1107BC1FFEBITX-INGREDIENT-F1F51B270770

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
2
In Ch I
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26?,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1
Mol Wt
785.0250000000005
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H]) ([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H]) O[H])[C@]5([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H]) ([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H] )(O[H])[C@@]5([H])O[C@@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])( [H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])( O[H])[C@@]5([H])O[C@@]6([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H]CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C
37 Flag
37
C Count
42
Mol Log P
2.149000000000001
N Count
0
O Count
13
P Count
0
S Count
0
Version
v1v1,v2
In Ch Ikey
RWXIFXNRCLMQCD-CZIWJLDFSA-NRWXIFXNRCLMQCD-JBVRGBGGSA-NRWXIFXNRCLMQCD-QFISXMCJSA-N
Ob Score
12.42712.4273920713.6898913113.68989131;15.292553213.689891;15.29255314.8292777717.745980529.69229.69203729.69203747
Suppress
01
Tcm Name
三七人参人参 人蔘
Tcm Name2
REN SHEN
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/20(R)-Ginsenoside Rg3.mol2/TCM_database/2003_3d_all/3373.mol2/TCM_database/2007_3d_all/08432.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/ginsenoside Rg3.mol2
Reference
2
Num Hdonors
9
Tcm Name En
GinsengGinseng Panax ginsengPanax notoginseng
Level1 Name
13.补虚药(60-62)7.止血药(25-26)
Level2 Name
1.补气药(15-15)2.化瘀止血药(5-5)
Num H Donors
9
Drug Likeness
0.115
Num Hacceptors
13
Level1 Name En
hemostatic medicinaltonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinalstasis-resolving hemostatic medicinal
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)CCC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)CCC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C
Molecule Weight
460.82785.14
Num H Acceptors
13
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C
Herb Alias Names
(20R)-Ginsenoside Rg338243-03-7(20R)Ginsenoside Rg3R-GINSENOSIDE RG3CHEMBL1095008CHEBI:6799020(R)-PropanaxadiolMFCD11045225ginsenoside-RE3
Molecular Weight
1078.590784.500
Molecular Volume
562563564
Molecular Weight
0785785.01
Molecule Formula
C42H72O13
Molecular Formula
C42H72O13C53H90O22
Molecular Formula
C42H72O13
Molecular Formula
C42H72O13
Num Rotatable Bonds
10
Link Ingredient Id
4681.07069.0
Num Rotatable Bonds
10
Molecular Polar Surface Area
219
Fda Maximum Daily Dose (Fdamdd)
0.0020.0070.0190.0200.0240.0300.055
Quantitative Estimate Of Drug Likeness（Qed）
0.0650.115