Chemoinformaics analysis of FORMIC ACID METHYL ESTER
Molecular Weight | 60.052 | nRot | 1 |
Heavy Atom Molecular Weight | 56.02 | nRig | 1 |
Exact Molecular Weight | 60.0211 | nRing | 0 |
Solubility: LogS | 0.737 | nHRing | 0 |
Solubility: LogP | 0.027 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 8 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 4 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 7.61117 |
nHD | 0 | BPOL | 6.61683 |
QED | 0.391 |
Synth | 2.949 |
Natural Product Likeliness | 1.311 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.009 |
HIA | 0.006 |
CACO-2 | -4.426 |
MDCK | 0.000921629 |
BBB | 0.963 |
PPB | 0.154135 |
VDSS | 0.947 |
FU | 0.811506 |
CYP1A2-inh | 0.338 |
CYP1A2-sub | 0.84 |
CYP2c19-inh | 0.07 |
CYP2c19-sub | 0.814 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.293 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.542 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.247 |
CL | 7.417 |
T12 | 0.868 |
hERG | 0.008 |
Ames | 0.018 |
ROA | 0.727 |
SkinSen | 0.254 |
Carcinogencity | 0.077 |
EI | 0.973 |
Respiratory | 0.41 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.902667 |