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

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Chemoinformaics analysis of GANODERIC-ACID-C-1


Physiochemical Properties
Molecular Weight 514.659 nRot 6
Heavy Atom Molecular Weight 472.323 nRig 26
Exact Molecular Weight 514.293 nRing 4
Solubility: LogS -3.856 nHRing 0
Solubility: LogP 2.628 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 0.554
Synth 5.124
Natural Product Likeliness 2.645
NR-PPAR-gamma 0.467
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.216
Pgp-sub 0.005
HIA 0.036
CACO-2 -5.412
Distribution
MDCK 0.0000205
BBB 0.808
PPB 0.659925
VDSS 0.416
Metabolism
FU 0.253945
CYP1A2-inh 0.001
CYP1A2-sub 0.517
CYP2c19-inh 0.008
CYP2c19-sub 0.944
CYP2c9-inh 0.027
CYP2c9-sub 0.914
CYP2d6-inh 0.001
CYP2d6-sub 0.233
CYP3a4-inh 0.032
CYP3a4-sub 0.148
Excretion
CL 16.308
T12 0.696
Toxicity
hERG 0
Ames 0.008
ROA 0.95
SkinSen 0.011
Carcinogencity 0.033
EI 0.028
Respiratory 0.573
NR-Aromatase 0.031
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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