Chemoinformaics analysis of Vilangine
Molecular Weight | 600.793 | nRot | 22 |
Heavy Atom Molecular Weight | 548.377 | nRig | 15 |
Exact Molecular Weight | 600.366 | nRing | 2 |
Solubility: LogS | -3.037 | nHRing | 0 |
Solubility: LogP | 9.313 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 95 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 43 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 35 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 99.5392 |
nHD | 4 | BPOL | 55.6388 |
QED | 0.047 |
Synth | 3.521 |
Natural Product Likeliness | 0.714 |
NR-PPAR-gamma | 0.875 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.657 |
Pgp-sub | 0.003 |
HIA | 0.651 |
CACO-2 | -5.972 |
MDCK | 0.0000153 |
BBB | 0.001 |
PPB | 1.06334 |
VDSS | 4.742 |
FU | 0.0252803 |
CYP1A2-inh | 0.28 |
CYP1A2-sub | 0.145 |
CYP2c19-inh | 0.392 |
CYP2c19-sub | 0.053 |
CYP2c9-inh | 0.126 |
CYP2c9-sub | 0.777 |
CYP2d6-inh | 0.479 |
CYP2d6-sub | 0.145 |
CYP3a4-inh | 0.031 |
CYP3a4-sub | 0.01 |
CL | 1.469 |
T12 | 0.56 |
hERG | 0.007 |
Ames | 0.238 |
ROA | 0.013 |
SkinSen | 0.989 |
Carcinogencity | 0.041 |
EI | 0.911 |
Respiratory | 0.181 |
NR-Aromatase | 0.932 |
Antiviral | Yes |
Prediction | 0.539061 |