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

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Chemoinformaics analysis of VITEXIN-XYLOSIDE


Physiochemical Properties
Molecular Weight 580.495 nRot 5
Heavy Atom Molecular Weight 552.271 nRig 30
Exact Molecular Weight 580.143 nRing 5
Solubility: LogS -3.424 nHRing 3
Solubility: LogP -0.932 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 69 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 41 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 2
No. of Carbon atom 26 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 74.1202
nHD 10 BPOL 35.9018
Medicinal Chemistry Properties
QED 0.155
Synth 4.778
Natural Product Likeliness 1.986
NR-PPAR-gamma 0.921
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.976
HIA 0.981
CACO-2 -6.339
Distribution
MDCK 0.0000472
BBB 0.16
PPB 0.827409
VDSS 0.702
Metabolism
FU 0.195976
CYP1A2-inh 0.007
CYP1A2-sub 0.019
CYP2c19-inh 0.013
CYP2c19-sub 0.051
CYP2c9-inh 0.001
CYP2c9-sub 0.493
CYP2d6-inh 0.003
CYP2d6-sub 0.14
CYP3a4-inh 0.009
CYP3a4-sub 0.003
Excretion
CL 1.015
T12 0.397
Toxicity
hERG 0.033
Ames 0.761
ROA 0.072
SkinSen 0.027
Carcinogencity 0.059
EI 0.007
Respiratory 0.02
NR-Aromatase 0.949
Antiviral Prediction
Antiviral Yes
Prediction 0.776334
OSADHI

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