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

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Chemoinformaics analysis of Ginsenoyne C


Physiochemical Properties
Molecular Weight 276.376 nRot 9
Heavy Atom Molecular Weight 252.184 nRig 17
Exact Molecular Weight 276.173 nRing 0
Solubility: LogS -3.534 nHRing 0
Solubility: LogP 2.659 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 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 24 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 3 No. of Arom Bond 0
nHA 3 APOL 46.799
nHD 3 BPOL 24.077
Medicinal Chemistry Properties
QED 0.689
Synth 2.645
Natural Product Likeliness 0.872
NR-PPAR-gamma 0.148
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.008
Pgp-sub 0.496
HIA 0.008
CACO-2 -4.785
Distribution
MDCK 0.0000256
BBB 0.009
PPB 0.928648
VDSS 0.803
Metabolism
FU 0.0920288
CYP1A2-inh 0.985
CYP1A2-sub 0.944
CYP2c19-inh 0.801
CYP2c19-sub 0.13
CYP2c9-inh 0.606
CYP2c9-sub 0.778
CYP2d6-inh 0.272
CYP2d6-sub 0.735
CYP3a4-inh 0.426
CYP3a4-sub 0.315
Excretion
CL 12.203
T12 0.756
Toxicity
hERG 0.152
Ames 0.036
ROA 0.384
SkinSen 0.09
Carcinogencity 0.798
EI 0.206
Respiratory 0.221
NR-Aromatase 0.051
Antiviral Prediction
Antiviral Yes
Prediction 0.818016
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A database of all the medicinal plants having PAN India presence.
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