OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of (+)-Corypalmine


Physiochemical Properties
Molecular Weight 341.407 nRot 3
Heavy Atom Molecular Weight 318.223 nRig 21
Exact Molecular Weight 341.163 nRing 4
Solubility: LogS -2.005 nHRing 2
Solubility: LogP 2.516 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 48 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 53.0442
nHD 1 BPOL 29.9918
Medicinal Chemistry Properties
QED 0.93
Synth 2.93
Natural Product Likeliness 1.182
NR-PPAR-gamma 0.013
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.476
Pgp-sub 0.926
HIA 0.003
CACO-2 -5.033
Distribution
MDCK 0.0000234
BBB 0.995
PPB 0.902045
VDSS 1.252
Metabolism
FU 0.102463
CYP1A2-inh 0.418
CYP1A2-sub 0.959
CYP2c19-inh 0.274
CYP2c19-sub 0.91
CYP2c9-inh 0.026
CYP2c9-sub 0.635
CYP2d6-inh 0.856
CYP2d6-sub 0.918
CYP3a4-inh 0.055
CYP3a4-sub 0.916
Excretion
CL 13.007
T12 0.844
Toxicity
hERG 0.264
Ames 0.303
ROA 0.585
SkinSen 0.325
Carcinogencity 0.105
EI 0.018
Respiratory 0.92
NR-Aromatase 0.42
Antiviral Prediction
Antiviral Yes
Prediction 0.620329
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