ITCMDBv1
IngredientID 13895

Catapol

C15H22O10

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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
13895
Core Entity Id
18613
Source Entity Count
1
Preferred Name
Catapol
Name En
Pubchem Id
129316868
Smiles Canonical
C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C15H22O10
Molecular Weight
362.3310
Inchikey
LHDWRKICQLTVDL-PZYDOOQISA-N
Inchi
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
Isomeric Smiles
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Cas Id
2415-24-9
Ob Score
3.9610
Mol Logp
-3.5903
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
4
Drug Likeness
0.2760
Polar Surface Area
161.6000
Molecular Volume
268.9100
Alogp
-3.5810

Names

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

Name
Catalpol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Catalpol_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Catapol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Catapol_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Catalpol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Catalpol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Catalpol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Catalpol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Catalpol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Catalpol_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Catalpol_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Catalpol_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Catapol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Catapol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Catapol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Catapol_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Catapol_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Catapol_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
catalpol_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
catapol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
catapol_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
梓木;蜀侧金盏花;剪秋罗毛蕊花;鲜地黄;插入十万错;干地黄;鳞片玄参;菲律宾石梓;毛泡桐;毛蕊花;熟地黄;西藏胡黄连
Role
TCM_name
Source
TCMBank
Preferred
No
Name
车前子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Plantago asiatica
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZI MU;SHU CE JIN ZHAN HUA;JIAN QIU LUO MAO RUI HUA;XIAN DI HUANG;CHA RU SHI WAN CUO;GAN DI HUANG;LIN PIAN XUAN SHEN;FEI LV BIN SHI ZI;MAO RUI HUA;MAO PAO TONG;SHU DI HUANG;XI ZANG HU HUANG LIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ovate Catalpa;Szechwan Adonis;White Mullein ;Adhesive Rehmannia Fresh Root;Ya-Yaa (Thai name);Adhesive Rehmannia Dried Root;Scale Figwort*;Philippine Bushbeech*;Royal Paulownia ;Flannel Mullein;Adhesive Rehmannia Cocked Root;Figwortflower Picrorhiza
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Plantain herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
2415-24-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
2415-24-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2415-24-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2415-24-9
Role
alias
Source
TCMBank
Preferred
No
Name
C09773
Role
alias
Source
SymMap_v2
Preferred
No
Name
C09773
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL513223
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL513223
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catalpinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catalpinoside
Role
alias
Source
TCMBank
Preferred
No
Name
Catalpinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Catalpol
Role
alias
Source
HERB_v2
Preferred
No
Name
Catalpol
Role
alias
Source
TCMBank
Preferred
No
Name
Catalpol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catalpol_qt
Role
alias
Source
TCMBank
Preferred
No
Name
Catalpol_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
Catalpol_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catalposide, des-p-hydroxybenzoyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Catalposide, des-p-hydroxybenzoyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Catalposide, des-p-hydroxybenzoyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catapol
Role
alias
Source
HERB_v2
Preferred
No
Name
Catapol
Role
alias
Source
itcmdb_public
Preferred
No
Name
De(p-hydroxybenzoyl)catalposide
Role
alias
Source
itcmdb_public
Preferred
No
Name
De(p-hydroxybenzoyl)catalposide
Role
alias
Source
HERB_v2
Preferred
No
Name
De(p-hydroxybenzoyl)catalposide
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 219-324-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 219-324-0
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 219-324-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
JCX5L7JIC2
Role
alias
Source
HERB_v2
Preferred
No
Name
JCX5L7JIC2
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPR01020108
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163523-01
Role
alias
Source
TCMBank
Preferred
No
Name
Rehmannioside A_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
Rehmannioside A_qt
Role
alias
Source
TCMBank
Preferred
No
Name
Rehmannioside A_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-JCX5L7JIC2
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-JCX5L7JIC2
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
Role
alias
Source
TCMBank
Preferred
No
Name
catalpinoside_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
catalpinoside_qt
Role
alias
Source
TCMBank
Preferred
No
Name
catalpinoside_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
dampness-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.利水通淋药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
water-draining and strangury-relieving medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

CatalpolCatalpol_QtCatapol_Qt梓木;蜀侧金盏花;剪秋罗毛蕊花;鲜地黄;插入十万错;干地黄;鳞片玄参;菲律宾石梓;毛泡桐;毛蕊花;熟地黄;西藏胡黄连车前子Plantago asiaticaZI MU;SHU CE JIN ZHAN HUA;JIAN QIU LUO MAO RUI HUA;XIAN DI HUANG;CHA RU SHI WAN CUO;GAN DI HUANG;LIN PIAN XUAN SHEN;FEI LV BIN SHI ZI;MAO RUI HUA;MAO PAO TONG;SHU DI HUANG;XI ZANG HU HUANG LIANOvate Catalpa;Szechwan Adonis;White Mullein ;Adhesive Rehmannia Fresh Root;Ya-Yaa (Thai name);Adhesive Rehmannia Dried Root;Scale Figwort*;Philippine Bushbeech*;Royal Paulownia ;Flannel Mullein;Adhesive Rehmannia Cocked Root;Figwortflower PicrorhizaPlantain herb(1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside2415-24-9C09773CHEMBL513223CatalpinosideCatalposide, des-p-hydroxybenzoyl-De(p-hydroxybenzoyl)catalposideEINECS 219-324-0JCX5L7JIC2LMPR01020108NCGC00163523-01Rehmannioside A_qtUNII-JCX5L7JIC2beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-catalpinoside_qt4.利水渗湿药(27-27)dampness-resolving medicinal2.利水通淋药(11-11)water-draining and strangury-relieving medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
2415-24-9
Herb
HBIN019909HBIN019910HBIN019914HBIN019915
Npass
NPC199561
Tcmid
236873306
Tcmsp
MOL002819MOL002820MOL007663MOL007822
Sym Map
SMIT00168SMIT00272SMIT04999SMIT09186
Tcm Id
166221792458505852
Pub Chem
129316868133611792138107792146158328247212562472870239177865329735491520
Tcmbank
TCMBANKIN008311TCMBANKIN030985TCMBANKIN033376TCMBANKIN036853TCMBANKIN050737TCMBANKIN057260
Etcm Ingredient
Catalpol
Itcmdb Generated
ITX-INGREDIENT-07ECE5347624ITX-INGREDIENT-72F95923AFADITX-INGREDIENT-DC87A03C8845

Attributes

Merged source attributes and domain-specific metadata.

Ic
3.54346
Jx
1.43824
Jy
1.56021
Bic
0.72941
Cic
1.10039
Phi
4.40022
Sic
0.76304
Log D
-3.581
Sc 0
25
Sc 1
28
Sc 2
44
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
-3.581
Chi 0
17.9304
Chi 1
11.9407
Chi 2
11.1142
In Ch I
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
Mol Wt
362.3310000000001
Pmi X
188.55196.267207.971
Cas Id
2415-24-9
Energy
108.75112.5277.65
Sc 3 C
14
Sc 3 P
65
Smiles
C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O[C@@]12([H])[C@@]([H])([C@@](C([H])([H])O[H])(O3)[C@]3([H])[C@@]1([H])O[H])[C@]([H])(O[C@]([H])(O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])OC([H])=C2[H][C@]12([H])[C@](C([H])([H])O[H])(O1)[C@]3([H])[C@@]([H])(C([H])=C([H])O[C@@]3([H])O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)[C@]2([H])O[H]
Zagreb
144
37 Flag
37
Chi 3 C
2.14433
Chi 3 P
10.569
Chi V 0
13.1587
Chi V 1
8.19177
Chi V 2
6.91161
C Count
15
Kappa 1
18.3673
Kappa 2
6.55785
Kappa 3
2.74934
Mol Log P
-3.590299999999996
N Count
0
O Count
10
P Count
0
Sc 3 Ch
1
S Count
0
Version
v1,v2
Alog P Mr
76.922
Chi 3 Ch
0.20412
Dipole X
-1.115570.732122.88784
Dipole Y
-2.93412-3.37848-4.15455
Dipole Z
-1.91496-3.756571.24434
Iac Mean
1.51352
In Ch Ikey
LHDWRKICQLTVDL-PZYDOOQISA-N
Is Chiral
0
Ob Score
3.9613.9610473.9610470444.6909925444.69099344.6915.0685.0682496615.0682595.03859395.038593495.039
Suppress
0
Tcm Name
梓木;蜀侧金盏花;剪秋罗毛蕊花;鲜地黄;插入十万错;干地黄;鳞片玄参;菲律宾石梓;毛泡桐;毛蕊花;熟地黄;西藏胡黄连车前子
Chi V 3 C
1.17953
Chi V 3 P
5.50687
Es Sum D O
0
Es Sum T N
0
E Adj Equ
397.214
E Adj Mag
568.43
Hba Count
4
Hbd Count
6
Iac Total
71.1355
Jurs Rasa
0.424950.452720.47226
Jurs Rncg
0.10531
Jurs Rncs
3.791624.243015.28119
Jurs Rpcg
0.13283
Jurs Rpcs
0.513311.026631.57202
Jurs Rpsa
0.527730.547270.57504
Jurs Sasa
484.832485.942500.417
Jurs Tasa
206.505226.552228.967
Jurs Tpsa
255.865273.866279.437
Num Atoms
25
Num Bonds
28
Num Rings
4
Shadow Xy
83.998584.248887.2291
Shadow Xz
47.83449.38950.3327
Shadow Yz
35.332235.4635.6781
Shadow Nu
2.432292.508122.57811
Tcm Name2
Plantago asiaticaZI MU;SHU CE JIN ZHAN HUA;JIAN QIU LUO MAO RUI HUA;XIAN DI HUANG;CHA RU SHI WAN CUO;GAN DI HUANG;LIN PIAN XUAN SHEN;FEI LV BIN SHI ZI;MAO RUI HUA;MAO PAO TONG;SHU DI HUANG;XI ZANG HU HUANG LIAN
V Adj Equ
271.958
V Adj Mag
325.212
Mol2 Path
/TCM_database/2.清热药(64-64)/4.清热凉血药(6-6)/地黄/3D/Catalpol.mol2/TCM_database/2003_3d_all/1246.mol2/TCM_database/4.利水渗湿药(27-27)/2.利水通淋药(11-11)/车前子/Plantago asiatica/Structure/catalpol.mol2
Reference
1, 2, 660, 2589, 3954, 4416, 5251, 5501, 5508
Chi V 3 Ch
0.11785
Dipole Mag
3.579395.174015.2104
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
58.981
Es Sum Ss O
21.888
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
17.7388
Kappa 2 Am
6.20139
Kappa 3 Am
2.5676
Num Hdonors
6
Num Chains
7
Num Rings3
1
Num Rings4
0
Num Rings5
1
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
3.018
Es Sum Dss C
0
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-128.966-81.4831-99.4836
Jurs Dpsa 3
118123.571123.652
Jurs Fnsa 1
0.584030.59940.63269
Jurs Fnsa 2
-2.18215-2.23957-2.36398
Jurs Fnsa 3
-0.20613-0.21216-0.22249
Jurs Fpsa 1
0.36730.400590.41596
Jurs Fpsa 2
0.523410.570860.59276
Jurs Fpsa 3
0.031970.034780.03726
Jurs Pnsa 1
283.157299.95307.454
Jurs Pnsa 2
-1057.97-1120.72-1148.75
Jurs Pnsa 3
-106.166-108.115-99.9343
Jurs Ppsa 1
178.488200.467201.674
Jurs Ppsa 3
15.536417.405318.0653
Jurs Wnsa 1
137.284149.405150.1
Jurs Wnsa 2
-512.938-558.227-560.825
Jurs Wnsa 3
-48.4514-52.5377-53.1273
Jurs Wpsa 1
100.31786.734897.7782
Jurs Wpsa 3
7.54988.709918.75865
Num Pi Bonds
0
Tcm Name En
Ovate Catalpa;Szechwan Adonis;White Mullein ;Adhesive Rehmannia Fresh Root;Ya-Yaa (Thai name);Adhesive Rehmannia Dried Root;Scale Figwort*;Philippine Bushbeech*;Royal Paulownia ;Flannel Mullein;Adhesive Rehmannia Cocked Root;Figwortflower PicrorhizaPlantain herb
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
2.利水通淋药(11-11)
Admet Psa 2 D
160.613
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
6
Es Count Ss O
4
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.909
Es Sum Ss Nh2
0
Es Sum Sss Ch
-10.405
Es Sum Sss Nh
0
Es Sum Ssss C
-0.993
Es Sum Ssss N
0
Nplus O Count
10
Num H Donors
6
Admet Alog P98
-3.581
Admet Ext Ppb
-20.5099
Drug Likeness
0.276
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
2
Es Count Dss C
0
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
10
Num Fragments
1
Num Hydrogens
22
Num Ring Bonds
18
Organic Count
25
Rad Of Gyration
3.343243.34893.46351
Shadow Xyfrac
0.649090.67640.68656
Shadow Xzfrac
0.664070.680170.68714
Shadow Yzfrac
0.689960.691480.71955
Strain Energy
13.7423.2724.48
Es Count Ss Ch2
2
Es Count Ss Nh2
0
Es Count Sss Ch
10
Es Count Sss Nh
0
Es Count Ssss C
1
Es Count Ssss N
0
Molecular Mass
362.121
Molecular Sasa
484.995
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
13.289713.396613.7876
Shadow Ylength
9.372229.38599.48379
Shadow Zlength
5.19635.463845.49718
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and strangury-relieving medicinal
Admet Bbb Level
4
Isomeric Smiles
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molecular Savol
421.753
Molecule Weight
200.21362.37
Num Atom Classes
25
Num Bridge Bonds
0
Num H Acceptors
10
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.00953
Admet Solubility
0.569
Canonical Smiles
C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
2415-24-9CatalpinosideCatapolDe(p-hydroxybenzoyl)catalposideCatalposide, des-p-hydroxybenzoyl-EINECS 219-324-0UNII-JCX5L7JIC2JCX5L7JIC2CHEMBL513223
Minimized Energy
63.9184.2789.25
Molecular Weight
362.120
Molecular Volume
268.91271.31275.08
Molecular Weight
362.329362.33
Molecule Formula
C15H22O10
Num Macro Chains
0
Molecular Formula
C15H22O10
Molecular Formula
C15H22O10
Molecular Formula
C15H22O10
Num Rotatable Bonds
4
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
25
Num Explicit Bonds
28
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
4
Molecular Polar Sasa
253.783
Num Bridge Head Atoms
0
Num Chain Assemblies
7
Num Meso Stereo Atoms
0
Molecular Solubility
0.336
Admet Ext Hepatotoxic
-6.65709
Admet Unknown Alog P98
0
Molecular Surface Area
321.33
Num Explicit Hydrogens
0
Num H Donors Lipinski
6
Num Pseudo Stereo Atoms
0
Admet Absorption Level
3
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
10
Molecular Polar Surface Area
161.6
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.523
Admet Ext Ppb Applicability#Md
12.1611
Fda Maximum Daily Dose (Fdamdd)
0.317
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
13.7037
Admet Ext Ppb Applicability#Mdpvalue
0.065124
Molecular Fractional Polar Surface Area
0.502
Admet Ext Hepatotoxic Applicability#Md
11.6523
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.0000555.5e-05
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.000636
Quantitative Estimate Of Drug Likeness（Qed）
0.276