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

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Chemoinformaics analysis of GINSENOSIDE-RD


Physiochemical Properties
Molecular Weight 963.165 nRot 13
Heavy Atom Molecular Weight 880.509 nRig 39
Exact Molecular Weight 962.545 nRing 7
Solubility: LogS -2.314 nHRing 3
Solubility: LogP -0.083 No. of Aliphatic Rings 7
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 149 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 67 No. of Aromatic Carbocycles 0
nHetero 19 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 82 No. of Saturated Hetero Cycles 3
No. of Carbon atom 48 No. of Saturated Rings 7
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 19 No. of Arom Bond 0
nHA 19 APOL 150.075
nHD 13 BPOL 92.679
Medicinal Chemistry Properties
QED 0.077
Synth 6.516
Natural Product Likeliness 2.257
NR-PPAR-gamma 0.136
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.992
Pgp-sub 0.082
HIA 0.999
CACO-2 -5.981
Distribution
MDCK 0.000366648
BBB 0.174
PPB 0.491813
VDSS -0.035
Metabolism
FU 0.121477
CYP1A2-inh 0
CYP1A2-sub 0.036
CYP2c19-inh 0
CYP2c19-sub 0.074
CYP2c9-inh 0
CYP2c9-sub 0.066
CYP2d6-inh 0
CYP2d6-sub 0.07
CYP3a4-inh 0.003
CYP3a4-sub 0.007
Excretion
CL 0.576
T12 0.048
Toxicity
hERG 0.025
Ames 0.064
ROA 0.417
SkinSen 0.004
Carcinogencity 0.005
EI 0.001
Respiratory 0.053
NR-Aromatase 0.742
Antiviral Prediction
Antiviral Yes
Prediction 0.819922
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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