Chemoinformaics analysis of Cinnamamide
Molecular Weight | 147.177 | nRot | 2 |
Heavy Atom Molecular Weight | 138.105 | nRig | 8 |
Exact Molecular Weight | 147.068 | nRing | 1 |
Solubility: LogS | -2.31 | nHRing | 0 |
Solubility: LogP | 1.168 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | 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 | 1 | No. of Arom Bond | 6 |
nHA | 1 | APOL | 22.9331 |
nHD | 1 | BPOL | 9.32686 |
QED | 0.627 |
Synth | 1.75 |
Natural Product Likeliness | 0.052 |
NR-PPAR-gamma | 0.011 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.028 |
Pgp-sub | 0.002 |
HIA | 0.008 |
CACO-2 | -4.454 |
MDCK | 0.0000412 |
BBB | 0.994 |
PPB | 0.796559 |
VDSS | 0.6 |
FU | 0.250076 |
CYP1A2-inh | 0.921 |
CYP1A2-sub | 0.401 |
CYP2c19-inh | 0.121 |
CYP2c19-sub | 0.071 |
CYP2c9-inh | 0.041 |
CYP2c9-sub | 0.798 |
CYP2d6-inh | 0.025 |
CYP2d6-sub | 0.62 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.199 |
CL | 7.939 |
T12 | 0.531 |
hERG | 0.107 |
Ames | 0.273 |
ROA | 0.017 |
SkinSen | 0.904 |
Carcinogencity | 0.537 |
EI | 0.992 |
Respiratory | 0.084 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.886723 |