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

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Chemoinformaics analysis of VITEXIN-7-GLUCOSIDE


Physiochemical Properties
Molecular Weight 594.522 nRot 6
Heavy Atom Molecular Weight 564.282 nRig 30
Exact Molecular Weight 594.158 nRing 5
Solubility: LogS -3.625 nHRing 3
Solubility: LogP -0.906 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 72 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 77.1238
nHD 10 BPOL 37.9082
Medicinal Chemistry Properties
QED 0.142
Synth 4.732
Natural Product Likeliness 1.766
NR-PPAR-gamma 0.722
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.967
HIA 0.979
CACO-2 -6.379
Distribution
MDCK 0.000123582
BBB 0.373
PPB 0.730295
VDSS 0.707
Metabolism
FU 0.273356
CYP1A2-inh 0.009
CYP1A2-sub 0.014
CYP2c19-inh 0.004
CYP2c19-sub 0.059
CYP2c9-inh 0
CYP2c9-sub 0.369
CYP2d6-inh 0.001
CYP2d6-sub 0.145
CYP3a4-inh 0.004
CYP3a4-sub 0.003
Excretion
CL 1.284
T12 0.284
Toxicity
hERG 0.016
Ames 0.617
ROA 0.113
SkinSen 0.014
Carcinogencity 0.097
EI 0.004
Respiratory 0.012
NR-Aromatase 0.949
Antiviral Prediction
Antiviral Yes
Prediction 0.845801
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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