Chemoinformaics analysis of VITEXIN-XYLOSIDE
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 |
QED | 0.155 |
Synth | 4.778 |
Natural Product Likeliness | 1.986 |
NR-PPAR-gamma | 0.921 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.976 |
HIA | 0.981 |
CACO-2 | -6.339 |
MDCK | 0.0000472 |
BBB | 0.16 |
PPB | 0.827409 |
VDSS | 0.702 |
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 |
CL | 1.015 |
T12 | 0.397 |
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 | Yes |
Prediction | 0.776334 |