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

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Chemoinformaics analysis of VISNAGIN


Physiochemical Properties
Molecular Weight 230.219 nRot 1
Heavy Atom Molecular Weight 220.139 nRig 16
Exact Molecular Weight 230.058 nRing 3
Solubility: LogS -3.259 nHRing 2
Solubility: LogP 2.878 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 4 No. of Arom Bond 15
nHA 4 APOL 31.5859
nHD 0 BPOL 16.1081
Medicinal Chemistry Properties
QED 0.645
Synth 2.585
Natural Product Likeliness 1.453
NR-PPAR-gamma 0.594
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.007
Pgp-sub 0.961
HIA 0.009
CACO-2 -4.748
Distribution
MDCK 0.0000232
BBB 0.034
PPB 0.800348
VDSS 0.693
Metabolism
FU 0.154056
CYP1A2-inh 0.979
CYP1A2-sub 0.962
CYP2c19-inh 0.859
CYP2c19-sub 0.564
CYP2c9-inh 0.547
CYP2c9-sub 0.893
CYP2d6-inh 0.541
CYP2d6-sub 0.895
CYP3a4-inh 0.383
CYP3a4-sub 0.355
Excretion
CL 5.143
T12 0.463
Toxicity
hERG 0.049
Ames 0.368
ROA 0.43
SkinSen 0.362
Carcinogencity 0.748
EI 0.877
Respiratory 0.657
NR-Aromatase 0.665
Antiviral Prediction
Antiviral Yes
Prediction 0.625559
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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