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

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Chemoinformaics analysis of Ginsenoside RG4


Physiochemical Properties
Molecular Weight 321.38 nRot 2
Heavy Atom Molecular Weight 302.228 nRig 9
Exact Molecular Weight 321.148 nRing 4
Solubility: LogS -7.655 nHRing 2
Solubility: LogP 16.469 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 16
No. of Oxygen atom 2 No. of Arom Bond 17
nHA 5 APOL 49.3031
nHD 1 BPOL 24.4889
Medicinal Chemistry Properties
QED 0.026
Synth 3.395
Natural Product Likeliness 0.477
NR-PPAR-gamma 0.063
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.89
HIA 0.04
CACO-2 -4.669
Distribution
MDCK 0.0000113
BBB 0.001
PPB 1.15466
VDSS 4.112
Metabolism
FU 0.00712845
CYP1A2-inh 0.022
CYP1A2-sub 0.064
CYP2c19-inh 0.083
CYP2c19-sub 0.022
CYP2c9-inh 0.04
CYP2c9-sub 0.985
CYP2d6-inh 0.004
CYP2d6-sub 0.003
CYP3a4-inh 0.169
CYP3a4-sub 0.006
Excretion
CL 5.242
T12 0.01
Toxicity
hERG 0.073
Ames 0.143
ROA 0
SkinSen 0.999
Carcinogencity 0.245
EI 0.851
Respiratory 0.146
NR-Aromatase 0.127
Antiviral Prediction
Antiviral Yes
Prediction 0.850871
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