Chemoinformaics analysis of Ethyl N-phenylcarbamate
Molecular Weight | 165.192 | nRot | 2 |
Heavy Atom Molecular Weight | 154.104 | nRig | 7 |
Exact Molecular Weight | 165.079 | nRing | 1 |
Solubility: LogS | -3.229 | nHRing | 0 |
Solubility: LogP | 2.715 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 25.0687 |
nHD | 1 | BPOL | 14.2093 |
QED | 0.65 |
Synth | 2.583 |
Natural Product Likeliness | 1.476 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.04 |
Pgp-sub | 0.99 |
HIA | 0.019 |
CACO-2 | -4.507 |
MDCK | 0.0000302 |
BBB | 0.606 |
PPB | 0.871525 |
VDSS | 1.852 |
FU | 0.0832967 |
CYP1A2-inh | 0.624 |
CYP1A2-sub | 0.95 |
CYP2c19-inh | 0.676 |
CYP2c19-sub | 0.769 |
CYP2c9-inh | 0.475 |
CYP2c9-sub | 0.897 |
CYP2d6-inh | 0.314 |
CYP2d6-sub | 0.89 |
CYP3a4-inh | 0.295 |
CYP3a4-sub | 0.252 |
CL | 14.272 |
T12 | 0.911 |
hERG | 0.057 |
Ames | 0.144 |
ROA | 0.022 |
SkinSen | 0.43 |
Carcinogencity | 0.041 |
EI | 0.702 |
Respiratory | 0.138 |
NR-Aromatase | 0.067 |
Antiviral | No |
Prediction | 0.884453 |