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

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Chemoinformaics analysis of Ginsenoyne B


Physiochemical Properties
Molecular Weight 294.822 nRot 9
Heavy Atom Molecular Weight 271.638 nRig 6
Exact Molecular Weight 294.139 nRing 0
Solubility: LogS -4.093 nHRing 0
Solubility: LogP 3.985 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 47.5102
nHD 2 BPOL 23.5838
Medicinal Chemistry Properties
QED 0.583
Synth 1.2
Natural Product Likeliness -0.191
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.02
HIA 0.003
CACO-2 -4.164
Distribution
MDCK 0.0000293
BBB 0.844
PPB 0.930806
VDSS 2.294
Metabolism
FU 0.0657524
CYP1A2-inh 0.923
CYP1A2-sub 0.485
CYP2c19-inh 0.882
CYP2c19-sub 0.522
CYP2c9-inh 0.726
CYP2c9-sub 0.605
CYP2d6-inh 0.018
CYP2d6-sub 0.103
CYP3a4-inh 0.023
CYP3a4-sub 0.297
Excretion
CL 11.753
T12 0.53
Toxicity
hERG 0.04
Ames 0.014
ROA 0.035
SkinSen 0.442
Carcinogencity 0.494
EI 0.993
Respiratory 0.072
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.816861
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