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: 10Target: 12Links: 34
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14682
- Core Entity Id
- 19484
- Source Entity Count
- 1
- Preferred Name
- Bdph
- Name En
- Pubchem Id
- 529865
- Smiles Canonical
- CCCC=C1C2=C(C=CCC2)C(=O)O1
- Molecular Formula
- C12H12O2
- Molecular Weight
- 188.2260
- Inchikey
- IQVQXVFMNOFTMU-FLIBITNWSA-N
- Inchi
- InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
- Isomeric Smiles
- CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
- Cas Id
- 551-08-6
- Ob Score
- 23.5028
- Mol Logp
- 2.8738
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6260
- Polar Surface Area
- 26.3000
- Molecular Volume
- 167.3800
- Alogp
- 2.9310
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-Ligustilide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-Ligustilide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(Z)-ligustilide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(z)-ligustilide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(z)-ligustilide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
BdPh
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bdph
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bdph
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bdph
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-Ligustilide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-ligustilide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-ligustilide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ligustilide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ligustilide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ligustilide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ligustilide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ligustilide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Z-Ligustilide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cis-ligustilide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
trans-ligustilide;Ligustilide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
z-ligustilide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
短片槁本
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUAN PIAN GAO BEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shortlobe Ligusticum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(3E)-3-butylidene-4,5-dihydroisobenzofuran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-Butylidenephthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-Butylidenephthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Butylidenephthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-Butylidenephthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Ligustilide
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-Ligustilide
Role
alias
Source
itcmdb_public
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
Role
alias
Source
SymMap_v2
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
Role
alias
Source
TCMBank
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-Butylidenephthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Butylidenephthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-butylidene-4,5-dihydro-2-benzofuran-1(3h)-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-butylidene-4,5-dihydro-2-benzofuran-1(3h)-one
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-butylidene-4,5-dihydro-2-benzofuran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-butylidene-4,5-dihydro-2-benzofuran-1-one
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-butylidene-4,5-dihydrophthalide
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-butylidene-4,5-dihydrophthalide
Role
alias
Source
TCMBank
Preferred
No
Name
4431-01-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4431-01-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4CN-0424
Role
alias
Source
TCMBank
Preferred
No
Name
4CN-0424
Role
alias
Source
SymMap_v2
Preferred
No
Name
551-08-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
551-08-6
Role
alias
Source
HERB_v2
Preferred
No
Name
72917-31-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
72917-31-8
Role
alias
Source
HERB_v2
Preferred
No
Name
81944-08-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
81944-08-3
Role
alias
Source
TCMBank
Preferred
No
Name
81944-09-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
81944-09-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1LB5PX
Role
alias
Source
TCMBank
Preferred
No
Name
AC1LB5PX
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS028108679
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS028108679
Role
alias
Source
TCMBank
Preferred
No
Name
Butylidenephthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butylidenephthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
CTK3E3664
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK3E3664
Role
alias
Source
TCMBank
Preferred
No
Name
CTK3E8444
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK3E8444
Role
alias
Source
TCMBank
Preferred
No
Name
CTK6D4395
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK6D4395
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006681
Role
alias
Source
SymMap_v2
Preferred
No
Name
DivK1c_006681
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0654457
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0654457
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio1_001625
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio1_001625
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002182
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio2_002182
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004750
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004750
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio2_007318
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBio2_007318
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002456
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002456
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBioSS_002182
Role
alias
Source
SymMap_v2
Preferred
No
Name
KBioSS_002182
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00001FIC
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00001FIC
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ligustilide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ligustilide
Role
alias
Source
HERB_v2
Preferred
No
Name
Ligustilide A
Role
alias
Source
HERB_v2
Preferred
No
Name
Ligustilide A
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4087027
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL4087027
Role
alias
Source
SymMap_v2
Preferred
No
Name
SpecPlus_000585
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000585
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum4_001816
Role
alias
Source
SymMap_v2
Preferred
No
Name
Spectrum4_001816
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001702
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001702
Role
alias
Source
SymMap_v2
Preferred
No
Name
Z-ligustilide
Role
alias
Source
SymMap_v2
Preferred
No
Name
Z-ligustilide
Role
alias
Source
TCMBank
Preferred
No
Name
cis-ligustilide
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-ligustilide
Role
alias
Source
HERB_v2
Preferred
No
Name
n-butylidenephthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-butylidenephthalide
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-LigustilideCis-LigustilideLigustilideZ-Ligustilidetrans-ligustilide;Ligustilide短片槁本DUAN PIAN GAO BENShortlobe Ligusticum(3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one(3E)-3-butylidene-4,5-dihydroisobenzofuran-1-one(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one(Z)-3-Butylidenephthalide(Z)-Butylidenephthalide1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-3-Butylidenephthalide3-butylidene-4,5-dihydro-2-benzofuran-1(3h)-one3-butylidene-4,5-dihydro-2-benzofuran-1-one3-butylidene-4,5-dihydrophthalide4431-01-04CN-0424551-08-672917-31-881944-08-381944-09-4AC1LB5PXAKOS028108679ButylidenephthalideCTK3E3664CTK3E8444CTK6D4395DivK1c_006681FT-0654457KBio1_001625KBio2_002182KBio2_004750KBio2_007318KBioGR_002456KBioSS_002182KS-00001FICLigustilide ASCHEMBL4087027SpecPlus_000585Spectrum4_001816Spectrum_001702n-butylidenephthalide
Cross References
Trusted external identifiers retained for this final record.
Cas
4431-01-0551-08-681944-09-4
Hit
C0186C0489
Herb
HBIN017664HBIN020876HBIN033198HBIN046774HBIN049034HBIN049035
Npass
NPC133600NPC227031NPC291255NPC30594NPC37622
Tcmid
128192309623510237352396230695314413326739953
Tcmsp
MOL002111MOL002122MOL002201MOL011782
Sym Map
SMIT04415SMIT04425SMIT04494SMIT12634SMIT16298SMIT18305SMIT18379SMIT18427SMIT18480SMIT19114
Tcm Id
13211132121528415509158161603916107161081682316824172191841618417184182028120282202832091920920209212092221047210482104921050231852318623187241029794208169
Pub Chem
529865531902253528995877292642376
Tcmbank
TCMBANKIN001890TCMBANKIN006951TCMBANKIN039370TCMBANKIN060784TCMBANKIN060786
Etcm Ingredient
(Z)-ligustilideLigustilide
Itcmdb Generated
ITX-INGREDIENT-3361B92D39C4ITX-INGREDIENT-366BFF6C6532ITX-INGREDIENT-3C24EE2CECB4
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.66449
Jx
2.41049
Jy
2.49044
Bic
0.86265
Cic
0.14285
Phi
2.37886
Sic
0.96247
Log D
2.931
Sc 0
14
Sc 1
15
Sc 2
21
Type
Other ingredients
Alog P
2.931
Chi 0
10.1294
Chi 1
6.73638
Chi 2
5.87453
In Ch I
InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
Mol Wt
188.226190.2419999999999
Pmi X
63.4224
Cas Id
551-08-6
Energy
25.55
Sc 3 C
5
Sc 3 P
29
Smiles
CCCC=C1C2=C(C=CCC2)C(=O)O1CCCC=C1C2=CC=CC=C2C(=O)O1
Zagreb
72
37 Flag
37
Chi 3 C
0.87965
Chi 3 P
5.1745
Chi V 0
8.59251
Chi V 1
5.05684
Chi V 2
3.68579
C Count
12
Kappa 1
10.5155
Kappa 2
4.24489
Kappa 3
1.88347
Mol Log P
2.8738000000000012.998000000000001
N Count
0
O Count
2
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
57.722
Chi 3 Ch
0
Dipole X
-1.30632
Dipole Y
0.20148
Dipole Z
-0.08009
Iac Mean
1.29583
In Ch Ikey
IQVQXVFMNOFTMU-FLIBITNWSA-NWMBOCUXXNSOQHM-FLIBITNWSA-N
Is Chiral
0
Ob Score
23.50282123.5028213823.50342.44142.44142942.4414291851.351.30031151.3003112453.71853.71802042
Suppress
01
Tcm Name
短片槁本
Admet Bbb
0.337
Chi V 3 C
0.43003
Chi V 3 P
2.77735
Es Sum D O
11.473
Es Sum T N
0
E Adj Equ
156.25
E Adj Mag
226.477
Hba Count
2
Hbd Count
0
Iac Total
36.2834
Jurs Rasa
0.79196
Jurs Rncg
0.30379
Jurs Rncs
4.75239
Jurs Rpcg
0.67816
Jurs Rpcs
6.71557
Jurs Rpsa
0.20803
Jurs Sasa
355.596
Jurs Tasa
281.62
Jurs Tpsa
73.976
Num Atoms
14
Num Bonds
15
Num Rings
2
Shadow Xy
57.5868
Shadow Xz
34.0056
Shadow Yz
23.7637
Shadow Nu
2.86583
Tcm Name2
DUAN PIAN GAO BEN
V Adj Equ
121.02
V Adj Mag
147.207
Mol2 Path
/TCM_database/2007_3d_all/12825.mol2
Reference
2, 343, 601, 658, 5501, 5508
Chi V 3 Ch
0
Dipole Mag
1.32418
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
0
Es Sum Ss O
5.276
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.40676
Kappa 2 Am
3.54043
Kappa 3 Am
1.49501
Num Hdonors
0
Num Chains
3
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
1
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
3.918
Es Sum Dss C
3.685
Es Sum S Ch3
4.101
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-309.706
Jurs Dpsa 3
33.5644
Jurs Fnsa 1
0.93547
Jurs Fnsa 2
-0.84387
Jurs Fnsa 3
-0.0834
Jurs Fpsa 1
0.06452
Jurs Fpsa 2
0.02836
Jurs Fpsa 3
0.01099
Jurs Pnsa 1
332.651
Jurs Pnsa 2
-300.075
Jurs Pnsa 3
-29.655
Jurs Ppsa 1
22.945
Jurs Ppsa 3
3.90934
Jurs Wnsa 1
118.289
Jurs Wnsa 2
-106.705
Jurs Wnsa 3
-10.5452
Jurs Wpsa 1
8.15913
Jurs Wpsa 3
1.39014
Num Pi Bonds
0
Tcm Name En
Shortlobe Ligusticum
Admet Psa 2 D
26.23
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
0
Es Count Ss O
1
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
2.878
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
0
Admet Alog P98
2.931
Admet Ext Ppb
-2.86678
Drug Likeness
0.6260.667
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
5
Es Count S Ch3
2
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
2
Num Fragments
1
Num Hydrogens
14
Num Ring Bonds
10
Organic Count
14
Rad Of Gyration
2.16383
Shadow Xyfrac
0.62387
Shadow Xzfrac
0.76052
Shadow Yzfrac
0.7378
Strain Energy
5.74
Es Count Ss Ch2
3
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
190.099
Molecular Sasa
375.367
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.3199
Shadow Ylength
8.15418
Shadow Zlength
3.94995
Admet Bbb Level
1
Isomeric Smiles
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1CCC/C=C\1/C2=CC=CC=C2C(=O)O1
Molecular Savol
327.275
Molecule Weight
188.24190.26
Num Atom Classes
14
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-2.99381
Admet Solubility
-3.851
Canonical Smiles
CCCC=C1C2=C(C=CCC2)C(=O)O1CCCC=C1C2=CC=CC=C2C(=O)O1
Herb Alias Names
n-butylidenephthalide(Z)-Butylidenephthalide3-Butylidenephthalide72917-31-8551-08-6ButylidenephthalideZ-butylidenephthalide1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-(Z)-3-Butylidenephthalide
Minimized Energy
19.81
Molecular Weight
190.100
Molecular Volume
167.38
Molecular Weight
188.22 g/mol190.238190.24190.24 g/mol
Molecule Formula
C12H14O2
Num Macro Chains
0
Molecular Formula
C12H14O2
Molecular Formula
C12H12O2C12H14O2
Molecular Formula
C12H12O2C12H14O2
Num Rotatable Bonds
2
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
14
Num Explicit Bonds
15
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
12634.0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
1
Molecular Polar Sasa
49.5212
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-2.251
Admet Ext Hepatotoxic
-4.02653
Admet Unknown Alog P98
0
Molecular Surface Area
204.16
Num Explicit Hydrogens
0
Num H Donors Lipinski
0
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
26.3
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.131
Admet Ext Ppb Applicability#Md
9.49222
Fda Maximum Daily Dose (Fdamdd)
0.436
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
10.3283
Admet Ext Ppb Applicability#Mdpvalue
0.978102
Molecular Fractional Polar Surface Area
0.128
Admet Ext Hepatotoxic Applicability#Md
9.1002
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.070852
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.407097
Quantitative Estimate Of Drug Likeness（Qed）
0.775