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

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Chemoinformaics analysis of GANODERIC-ACID-J


Physiochemical Properties
Molecular Weight 514.659 nRot 6
Heavy Atom Molecular Weight 472.323 nRig 25
Exact Molecular Weight 514.293 nRing 4
Solubility: LogS -4.669 nHRing 0
Solubility: LogP 2.435 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 79 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 37 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 42 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 7 No. of Arom Bond 0
nHA 6 APOL 83.7193
nHD 2 BPOL 46.4747
Medicinal Chemistry Properties
QED 0.54
Synth 5.045
Natural Product Likeliness 3.004
NR-PPAR-gamma 0.96
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.556
Pgp-sub 0.003
HIA 0.196
CACO-2 -5.4
Distribution
MDCK 0.0000221
BBB 0.939
PPB 0.807778
VDSS 0.328
Metabolism
FU 0.0891656
CYP1A2-inh 0.001
CYP1A2-sub 0.437
CYP2c19-inh 0.016
CYP2c19-sub 0.898
CYP2c9-inh 0.023
CYP2c9-sub 0.916
CYP2d6-inh 0.001
CYP2d6-sub 0.147
CYP3a4-inh 0.044
CYP3a4-sub 0.196
Excretion
CL 12.776
T12 0.759
Toxicity
hERG 0.001
Ames 0.02
ROA 0.178
SkinSen 0.032
Carcinogencity 0.064
EI 0.013
Respiratory 0.922
NR-Aromatase 0.659
Antiviral Prediction
Antiviral Yes
Prediction 0.781027
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A database of all the medicinal plants having PAN India presence.
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