Chemoinformaics analysis of Propanamide
Molecular Weight | 73.095 | nRot | 1 |
Heavy Atom Molecular Weight | 66.039 | nRig | 1 |
Exact Molecular Weight | 73.0528 | nRing | 0 |
Solubility: LogS | 0.782 | nHRing | 0 |
Solubility: LogP | -0.554 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 12 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 5 | No. of Aromatic Carbocycles | 0 |
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 | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 11.5796 |
nHD | 1 | BPOL | 7.32045 |
QED | 0.462 |
Synth | 1.876 |
Natural Product Likeliness | -0.404 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.941 |
HIA | 0.003 |
CACO-2 | -4.585 |
MDCK | 0.000186774 |
BBB | 0.999 |
PPB | 0.201421 |
VDSS | 0.896 |
FU | 0.828365 |
CYP1A2-inh | 0.082 |
CYP1A2-sub | 0.18 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.073 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.166 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.238 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.188 |
CL | 7.776 |
T12 | 0.307 |
hERG | 0.021 |
Ames | 0.04 |
ROA | 0.03 |
SkinSen | 0.281 |
Carcinogencity | 0.044 |
EI | 0.908 |
Respiratory | 0.026 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.97897 |