Chemoinformaics analysis of Formanilide
Molecular Weight | 121.139 | nRot | 2 |
Heavy Atom Molecular Weight | 114.083 | nRig | 7 |
Exact Molecular Weight | 121.053 | nRing | 1 |
Solubility: LogS | -0.984 | nHRing | 0 |
Solubility: LogP | 1.142 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 1 | APOL | 18.2596 |
nHD | 1 | BPOL | 8.46045 |
QED | 0.586 |
Synth | 1.684 |
Natural Product Likeliness | -0.655 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.119 |
CACO-2 | -4.312 |
MDCK | 0.0000341 |
BBB | 0.991 |
PPB | 0.524149 |
VDSS | 1.133 |
FU | 0.361317 |
CYP1A2-inh | 0.935 |
CYP1A2-sub | 0.444 |
CYP2c19-inh | 0.484 |
CYP2c19-sub | 0.769 |
CYP2c9-inh | 0.101 |
CYP2c9-sub | 0.815 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.753 |
CYP3a4-inh | 0.022 |
CYP3a4-sub | 0.254 |
CL | 8.39 |
T12 | 0.822 |
hERG | 0.037 |
Ames | 0.207 |
ROA | 0.018 |
SkinSen | 0.724 |
Carcinogencity | 0.094 |
EI | 0.882 |
Respiratory | 0.782 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.906779 |