Chemoinformaics analysis of VISAMMINOL
Molecular Weight | 276.288 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 16 |
Exact Molecular Weight | 276.1 | nRing | 3 |
Solubility: LogS | -2.821 | nHRing | 2 |
Solubility: LogP | 2.453 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 5 | No. of Arom Bond | 11 |
nHA | 5 | APOL | 39.7287 |
nHD | 2 | BPOL | 20.3913 |
QED | 0.831 |
Synth | 3.474 |
Natural Product Likeliness | 2.76 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.004 |
HIA | 0.015 |
CACO-2 | -4.797 |
MDCK | 0.0000147 |
BBB | 0.029 |
PPB | 0.843738 |
VDSS | 0.791 |
FU | 0.141258 |
CYP1A2-inh | 0.687 |
CYP1A2-sub | 0.838 |
CYP2c19-inh | 0.071 |
CYP2c19-sub | 0.685 |
CYP2c9-inh | 0.166 |
CYP2c9-sub | 0.879 |
CYP2d6-inh | 0.11 |
CYP2d6-sub | 0.467 |
CYP3a4-inh | 0.051 |
CYP3a4-sub | 0.305 |
CL | 3.724 |
T12 | 0.601 |
hERG | 0.005 |
Ames | 0.22 |
ROA | 0.214 |
SkinSen | 0.488 |
Carcinogencity | 0.216 |
EI | 0.103 |
Respiratory | 0.059 |
NR-Aromatase | 0.54 |
Antiviral | Yes |
Prediction | 0.763649 |