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

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Chemoinformaics analysis of GANODERIC-ACID-I


Physiochemical Properties
Molecular Weight 532.674 nRot 6
Heavy Atom Molecular Weight 488.322 nRig 25
Exact Molecular Weight 532.304 nRing 4
Solubility: LogS -3.187 nHRing 0
Solubility: LogP 2.258 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 82 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 38 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 44 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 7 APOL 85.8549
nHD 4 BPOL 47.6131
Medicinal Chemistry Properties
QED 0.472
Synth 5.26
Natural Product Likeliness 2.499
NR-PPAR-gamma 0.815
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.321
Pgp-sub 0.061
HIA 0.132
CACO-2 -5.466
Distribution
MDCK 0.0000232
BBB 0.367
PPB 0.509034
VDSS 0.348
Metabolism
FU 0.418217
CYP1A2-inh 0
CYP1A2-sub 0.218
CYP2c19-inh 0.003
CYP2c19-sub 0.865
CYP2c9-inh 0.02
CYP2c9-sub 0.363
CYP2d6-inh 0.001
CYP2d6-sub 0.128
CYP3a4-inh 0.027
CYP3a4-sub 0.102
Excretion
CL 14.023
T12 0.491
Toxicity
hERG 0.001
Ames 0.013
ROA 0.97
SkinSen 0.013
Carcinogencity 0.017
EI 0.013
Respiratory 0.675
NR-Aromatase 0.121
Antiviral Prediction
Antiviral Yes
Prediction 0.817923
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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