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

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Chemoinformaics analysis of dihydroresveratrol


Physiochemical Properties
Molecular Weight 230.263 nRot 3
Heavy Atom Molecular Weight 216.151 nRig 12
Exact Molecular Weight 230.094 nRing 2
Solubility: LogS -2.553 nHRing 0
Solubility: LogP 2.629 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 3 No. of Arom Bond 12
nHA 3 APOL 35.1211
nHD 3 BPOL 14.0449
Medicinal Chemistry Properties
QED 0.759
Synth 1.964
Natural Product Likeliness 0.704
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.437
Pgp-sub 0.01
HIA 0.079
CACO-2 -4.857
Distribution
MDCK 0.000014
BBB 0.051
PPB 0.928083
VDSS 1.01
Metabolism
FU 0.0869558
CYP1A2-inh 0.971
CYP1A2-sub 0.279
CYP2c19-inh 0.919
CYP2c19-sub 0.058
CYP2c9-inh 0.741
CYP2c9-sub 0.96
CYP2d6-inh 0.949
CYP2d6-sub 0.884
CYP3a4-inh 0.865
CYP3a4-sub 0.167
Excretion
CL 16.013
T12 0.915
Toxicity
hERG 0.098
Ames 0.079
ROA 0.323
SkinSen 0.954
Carcinogencity 0.09
EI 0.984
Respiratory 0.081
NR-Aromatase 0.085
Antiviral Prediction
Antiviral No
Prediction 0.686012
OSADHI

A database of all the medicinal plants having PAN India presence.
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