ITCMDBv1
IngredientID 28989

Zoomaric acid

C16H30O2

Back to Browse

Relationship Network

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

Click a node to open it in a new tab
Herb: 12Ingredient: 1Reference: 2Target: 12Links: 26
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28989
Core Entity Id
35408
Source Entity Count
1
Preferred Name
Zoomaric acid
Name En
Pubchem Id
445638
Smiles Canonical
CCCCCC/C=C/CCCCCCCC(=O)O
Molecular Formula
C16H30O2
Molecular Weight
254.4140
Inchikey
SECPZKHBENQXJG-BQYQJAHWSA-N
Inchi
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14-
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)O
Cas Id
373-49-9
Ob Score
34.0180
Mol Logp
5.3283
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
13
Drug Likeness
0.3560
Polar Surface Area
37.2900
Molecular Volume
244.9000
Alogp
5.9480

Names

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

Name
2Z-Hexadecenoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Trans-Palmitoleic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Zoomaric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2Z-Hexadecenoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2Z-hexadecenoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2Z-hexadecenoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2z-hexadecenoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2z-hexadecenoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-HEXADECENOIC ACID
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-Hexadecenoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-hexadecenoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-hexadecenoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Palmitoleicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Palmitoleicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Palmitoleicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trans-Palmitoleic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trans-palmitoleic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trans-palmitoleic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zoomaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Zoomaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zoomaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cis-9-hexadecenoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
palmitoleic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
干地黄;醋柳果;栝楼;蔓荆子;杏仁;澳洲坚果;双边栝楼;斑纹芦荟;油棕;益智仁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAN DI HUANG;CU LIU GUO;GUA LOU;MAN JING ZI;XING REN;AO ZHOU JIAN GUO;SHUANG BIAN GUA LOU;YOU ZONG;YI ZHI REN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Adhesive Rehmannia Dried Root;Seabuckthorn Fruit;Mongolian Snakegourd;Seabuckthorn Fruit ;Threeleaf Chastetree Fruit;Apricot Seed ;Queensland Nut;Rosthorn Snakegourd;Rosthorn Snakegourd;Oilpalm;Sharpleaf Galangal
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2Z)-2-Hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2Z)-2-Hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-hexadec-9-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-hexadec-9-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Hexadec-9-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Hexadec-9-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-hexadec-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-hexadec-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-hexadec-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10030-73-6
Role
alias
Source
HERB_v2
Preferred
No
Name
10030-73-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2091-29-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2091-29-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2825-68-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2825-68-5
Role
alias
Source
HERB_v2
Preferred
No
Name
373-49-9
Role
alias
Source
HERB_v2
Preferred
No
Name
373-49-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-HEXADECENOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
9-HEXADECENOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hexadecenoic acid, (9E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hexadecenoic acid, (9E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9-cis-Hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9-cis-Hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-trans-hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9-trans-hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9E-hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9E-hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
?2-cis-Hexadecenoic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
?2-cis-Hexadecenoic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
C16:1n-14
Role
alias
Source
itcmdb_public
Preferred
No
Name
C16:1n-14
Role
alias
Source
HERB_v2
Preferred
No
Name
Delta2-cis-Hexadecenoic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Delta2-cis-Hexadecenoic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030265
Role
alias
Source
TCMBank
Preferred
No
Name
Oleopalmitic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleopalmitic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
PALMITELAIDIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
PALMITELAIDIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3746081
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3746081
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zoomeric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Zoomeric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-9-Hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-9-Hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-9-palmitoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-9-palmitoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-Hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Palmitoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-Palmitoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
palmitoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
palmitoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-9-hexadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-9-hexadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-palmitoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-palmitoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
zoomaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
zoomaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5.理气药(22-22)
Role
level1_name
Source
TCMBank
Preferred
No
Name
qi-regulating medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2Z-Hexadecenoic AcidTrans-Palmitoleic Acid9-HEXADECENOIC ACIDPalmitoleicacidcis-9-hexadecenoic acidpalmitoleic acid干地黄;醋柳果;栝楼;蔓荆子;杏仁;澳洲坚果;双边栝楼;斑纹芦荟;油棕;益智仁GAN DI HUANG;CU LIU GUO;GUA LOU;MAN JING ZI;XING REN;AO ZHOU JIAN GUO;SHUANG BIAN GUA LOU;YOU ZONG;YI ZHI RENAdhesive Rehmannia Dried Root;Seabuckthorn Fruit;Mongolian Snakegourd;Seabuckthorn Fruit ;Threeleaf Chastetree Fruit;Apricot Seed ;Queensland Nut;Rosthorn Snakegourd;Rosthorn Snakegourd;Oilpalm;Sharpleaf Galangal(2Z)-2-Hexadecenoic acid(E)-hexadec-9-enoic acid(Z)-Hexadec-9-enoic acid(Z)-hexadec-2-enoic acid10030-73-62091-29-42825-68-5373-49-99-Hexadecenoic acid, (9E)-9-cis-Hexadecenoic acid9-trans-hexadecenoic acid9E-hexadecenoic acid?2-cis-Hexadecenoic AcidC16:1n-14Delta2-cis-Hexadecenoic AcidLMFA01030265Oleopalmitic acidPALMITELAIDIC ACIDSCHEMBL3746081Zoomeric acidcis-9-palmitoleic acidcis-Hexadecenoic acidcis-Palmitoleic acidtrans-9-hexadecenoic acid5.理气药(22-22)qi-regulating medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
10030-73-6373-49-9
Hit
C0287
Herb
HBIN006867HBIN014104HBIN020799HBIN038696HBIN038697HBIN046799HBIN049051
Npass
NPC139029NPC140951NPC27226NPC36061
Tcmid
165502365532333330743307533866360413959239593
Tcmsp
MOL001312MOL001739MOL006962
Sym Map
SMIT03755SMIT04108SMIT08493SMIT17086SMIT18408SMIT27256
Tcm Id
20603745
Pub Chem
44563852827455312417
Tcmbank
TCMBANKIN005444TCMBANKIN056869TCMBANKIN057682TCMBANKIN060910
Drug Bank
DB04257
Etcm Ingredient
2Z-hexadecenoic acid9-HEXADECENOIC ACID
Itcmdb Generated
ITX-INGREDIENT-12D0DF4EF81FITX-INGREDIENT-33F008219956ITX-INGREDIENT-4A533F8DF19CITX-INGREDIENT-664ADAF76961ITX-INGREDIENT-6D9C7C984C94ITX-INGREDIENT-80630929F8E5ITX-INGREDIENT-A071F94C0B78ITX-INGREDIENT-C49B3FB49483

Attributes

Merged source attributes and domain-specific metadata.

Ic
2.61436
Jx
3.02232
Jy
3.06678
Bic
0.61544
Cic
1.55555
Phi
13.926
Sic
0.62695
Log D
4.499
Sc 0
18
Sc 1
17
Sc 2
17
Type
Blood ingredients,Other ingredientsOther ingredientsOther ingredients,Metabolic ingredients
Alog P
5.948
Chi 0
13.4768
Chi 1
8.77005
Chi 2
6.42516
In Ch I
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14-InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
Mol Wt
254.4139999999999254.414
Pmi X
12.680991.5212
Cas Id
373-49-9
Energy
-0.080.1
Sc 3 C
1
Sc 3 P
15
Smiles
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]CCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCC=CC(=O)OO([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Zagreb
68
37 Flag
37
Chi 3 C
0.40824
Chi 3 P
3.88502
Chi V 0
11.9954
Chi V 1
7.63822
Chi V 2
5.02092
C Count
16
Kappa 1
18
Kappa 2
15.0588
Kappa 3
17.0667
Mol Log P
5.328300000000005
N Count
0
O Count
2
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
78.2
Chi 3 Ch
0
Dipole X
-11.802511.4866
Dipole Y
-3.594196.53946
Dipole Z
-0.00006-0.00062
Iac Mean
1.14315
In Ch Ikey
SECPZKHBENQXJG-BQYQJAHWSA-NSECPZKHBENQXJG-FPLPWBNLSA-NZVRMGCSSSYZGSM-PFONDFGASA-N
Is Chiral
0
Ob Score
34.01834.0180958134.01809635.7758532135.775853;35.776
Suppress
0
Tcm Name
干地黄;醋柳果;栝楼;蔓荆子;杏仁;澳洲坚果;双边栝楼;斑纹芦荟;油棕;益智仁香橼;柴胡
Admet Bbb
1.081
Chi V 3 C
0.06454
Chi V 3 P
3.15244
Es Sum D O
10.291
Es Sum T N
0
E Adj Equ
151.02
E Adj Mag
172.974
Hba Count
1
Hbd Count
0
Iac Total
54.8715
Jurs Rasa
0.803180.80401
Jurs Rncg
0.241
Jurs Rncs
12.808313.0149
Jurs Rpcg
0.88513
Jurs Rpcs
8.76511
Jurs Rpsa
0.195980.19681
Jurs Sasa
539.176545.83
Jurs Tasa
433.056438.853
Jurs Tpsa
106.12106.977
Num Atoms
18
Num Bonds
17
Num Rings
0
Shadow Xy
84.785785.1987
Shadow Xz
61.851867.2109
Shadow Yz
13.266121.1253
Shadow Nu
6.289196.82268
Tcm Name2
Citrus medica L;Bupleurum chinenseGAN DI HUANG;CU LIU GUO;GUA LOU;MAN JING ZI;XING REN;AO ZHOU JIAN GUO;SHUANG BIAN GUA LOU;YOU ZONG;YI ZHI REN
V Adj Equ
156.964
V Adj Mag
172.974
Mol2 Path
/TCM_database/2003_3d_all/6596.mol2/TCM_database/5.理气药(22-22)/香橼/Citrus medica L/Structures/palmitoleic acid.mol2
Reference
2660
Chi V 3 Ch
0
Dipole Mag
12.337613.2177
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
8.481
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
17.37
Kappa 2 Am
14.4311
Kappa 3 Am
16.4396
Num Hdonors
1
Num Chains
2
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
1
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
4.628
Es Sum Dss C
-0.666
Es Sum S Ch3
2.242
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-460.439-467.093
Jurs Dpsa 3
55.866955.9909
Jurs Fnsa 1
0.926980.92787
Jurs Fnsa 2
-1.27603-1.27726
Jurs Fnsa 3
-0.09586-0.09728
Jurs Fpsa 1
0.072120.07301
Jurs Fpsa 2
0.021030.02129
Jurs Fpsa 3
0.006490.00657
Jurs Pnsa 1
499.808506.461
Jurs Pnsa 2
-688.004-697.163
Jurs Pnsa 3
-52.3232-52.4472
Jurs Ppsa 1
39.3688
Jurs Ppsa 3
3.54368
Jurs Wnsa 1
269.484276.442
Jurs Wnsa 2
-370.955-380.533
Jurs Wnsa 3
-28.2783-28.5596
Jurs Wpsa 1
21.226721.4887
Jurs Wpsa 3
1.910671.93425
Num Pi Bonds
0
Tcm Name En
Adhesive Rehmannia Dried Root;Seabuckthorn Fruit;Mongolian Snakegourd;Seabuckthorn Fruit ;Threeleaf Chastetree Fruit;Apricot Seed ;Queensland Nut;Rosthorn Snakegourd;Rosthorn Snakegourd;Oilpalm;Sharpleaf GalangalXIANG YUAN;Radix Bupleuri
Level1 Name
5.理气药(22-22)
Admet Psa 2 D
38.116
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
1
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
13.688
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
2
Num H Donors
1
Admet Alog P98
5.948
Admet Ext Ppb
3.10793
Drug Likeness
0.356
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
1
Es Count S Ch3
1
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
1
Num Fragments
1
Num Hydrogens
30
Num Ring Bonds
0
Organic Count
18
Rad Of Gyration
3.917274.13903
Shadow Xyfrac
0.506770.69389
Shadow Xzfrac
0.850460.85185
Shadow Yzfrac
0.740740.79027
Strain Energy
1.61.61
Es Count Ss Ch2
12
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
254.225
Molecular Sasa
543.995
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
21.386723.2015
Shadow Ylength
5.266437.86089
Shadow Zlength
3.400553.40063
Level1 Name En
qi-regulating medicinal
Admet Bbb Level
0
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)OCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCC/C=C\C(=O)O
Molecular Savol
464.144
Molecule Weight
254.46
Num Atom Classes
18
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-1.46201
Admet Solubility
-4.387
Canonical Smiles
CCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCC=CC(=O)O
Herb Alias Names
(Z)-hexadec-2-enoic acid2825-68-5Delta2-cis-Hexadecenoic Acidcis-Hexadecenoic acidC16:1n-14?2-cis-Hexadecenoic Acid(2Z)-2-Hexadecenoic acid??2-cis-Hexadecenoic AcidSCHEMBL3746081
Minimized Energy
-1.51-1.68
Molecular Weight
254.220
Molecular Volume
244.9246.95
Molecular Weight
254.408254.41254.41 g/mol
Molecule Formula
C16H30O2
Num Macro Chains
0
Molecular Formula
C16H30O2
Molecular Formula
C16H30O2
Molecular Formula
C16H30O2
Num Rotatable Bonds
13
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
18
Num Explicit Bonds
17
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
13
Molecular Polar Sasa
78.9921
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-6.413
Admet Ext Hepatotoxic
-18.6514
Admet Unknown Alog P98
0
Molecular Surface Area
315.88
Num Explicit Hydrogens
0
Num H Donors Lipinski
1
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
2
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
37.29
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.145
Admet Ext Ppb Applicability#Md
9.48726
Fda Maximum Daily Dose (Fdamdd)
0.0140.019
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
12.7961
Admet Ext Ppb Applicability#Mdpvalue
0.978466
Molecular Fractional Polar Surface Area
0.118
Admet Ext Hepatotoxic Applicability#Md
7.02134
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.000492
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.995137
Quantitative Estimate Of Drug Likeness（Qed）
0.356