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

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Chemoinformaics analysis of GANODERIC ACID A


Physiochemical Properties
Molecular Weight 516.675 nRot 6
Heavy Atom Molecular Weight 472.323 nRig 25
Exact Molecular Weight 516.309 nRing 4
Solubility: LogS -3.26 nHRing 0
Solubility: LogP 2.797 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 81 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 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 7 No. of Arom Bond 0
nHA 6 APOL 85.0529
nHD 3 BPOL 47.6131
Medicinal Chemistry Properties
QED 0.54
Synth 5.188
Natural Product Likeliness 2.915
NR-PPAR-gamma 0.204
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.646
Pgp-sub 0.077
HIA 0.012
CACO-2 -5.457
Distribution
MDCK 0.0000168
BBB 0.885
PPB 0.662022
VDSS 0.389
Metabolism
FU 0.215845
CYP1A2-inh 0.001
CYP1A2-sub 0.319
CYP2c19-inh 0.007
CYP2c19-sub 0.895
CYP2c9-inh 0.025
CYP2c9-sub 0.641
CYP2d6-inh 0.002
CYP2d6-sub 0.14
CYP3a4-inh 0.041
CYP3a4-sub 0.165
Excretion
CL 10.174
T12 0.895
Toxicity
hERG 0.006
Ames 0.014
ROA 0.84
SkinSen 0.047
Carcinogencity 0.085
EI 0.013
Respiratory 0.841
NR-Aromatase 0.031
Antiviral Prediction
Antiviral Yes
Prediction 0.784317
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A database of all the medicinal plants having PAN India presence.
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