Chemoinformaics analysis of VITEXIN-RHAMNOSIDE
Molecular Weight | 578.523 | nRot | 5 |
Heavy Atom Molecular Weight | 548.283 | nRig | 30 |
Exact Molecular Weight | 578.164 | nRing | 5 |
Solubility: LogS | -3.864 | nHRing | 3 |
Solubility: LogP | -0.377 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 71 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 41 | No. of Aromatic Carbocycles | 2 |
nHetero | 14 | 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 | 14 | No. of Arom Bond | 17 |
nHA | 14 | APOL | 76.3218 |
nHD | 9 | BPOL | 37.9082 |
QED | 0.169 |
Synth | 4.681 |
Natural Product Likeliness | 1.963 |
NR-PPAR-gamma | 0.911 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.986 |
HIA | 0.955 |
CACO-2 | -6.289 |
MDCK | 0.0000851 |
BBB | 0.231 |
PPB | 0.745226 |
VDSS | 0.733 |
FU | 0.177565 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.026 |
CYP2c19-inh | 0.007 |
CYP2c19-sub | 0.068 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.368 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.162 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.006 |
CL | 1.266 |
T12 | 0.183 |
hERG | 0.019 |
Ames | 0.773 |
ROA | 0.093 |
SkinSen | 0.017 |
Carcinogencity | 0.71 |
EI | 0.005 |
Respiratory | 0.029 |
NR-Aromatase | 0.956 |
Antiviral | Yes |
Prediction | 0.842003 |