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

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Chemoinformaics analysis of GANODERIC-ACID-W


Physiochemical Properties
Molecular Weight 572.783 nRot 7
Heavy Atom Molecular Weight 520.367 nRig 24
Exact Molecular Weight 572.371 nRing 4
Solubility: LogS -4.487 nHRing 0
Solubility: LogP 4.441 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 93 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 41 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 52 No. of Saturated Hetero Cycles 0
No. of Carbon atom 34 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 6 APOL 97.0672
nHD 2 BPOL 58.2428
Medicinal Chemistry Properties
QED 0.265
Synth 5.369
Natural Product Likeliness 3.08
NR-PPAR-gamma 0.969
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.035
Pgp-sub 0.034
HIA 0.1
CACO-2 -5.073
Distribution
MDCK 0.0000132
BBB 0.789
PPB 0.990726
VDSS 0.84
Metabolism
FU 0.0332057
CYP1A2-inh 0.002
CYP1A2-sub 0.088
CYP2c19-inh 0.004
CYP2c19-sub 0.873
CYP2c9-inh 0.049
CYP2c9-sub 0.918
CYP2d6-inh 0.002
CYP2d6-sub 0.156
CYP3a4-inh 0.115
CYP3a4-sub 0.332
Excretion
CL 1.828
T12 0.031
Toxicity
hERG 0.002
Ames 0.006
ROA 0.036
SkinSen 0.026
Carcinogencity 0.034
EI 0.018
Respiratory 0.209
NR-Aromatase 0.819
Antiviral Prediction
Antiviral Yes
Prediction 0.602092
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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