Chemoinformaics analysis of IMPERANENE
Molecular Weight | 330.38 | nRot | 7 |
Heavy Atom Molecular Weight | 308.204 | nRig | 13 |
Exact Molecular Weight | 330.147 | nRing | 2 |
Solubility: LogS | -3.54 | nHRing | 0 |
Solubility: LogP | 2.578 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 50.4094 |
nHD | 3 | BPOL | 25.5426 |
QED | 0.727 |
Synth | 2.832 |
Natural Product Likeliness | 1.208 |
NR-PPAR-gamma | 0.331 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.685 |
HIA | 0.023 |
CACO-2 | -4.728 |
MDCK | 0.0000119 |
BBB | 0.087 |
PPB | 0.983046 |
VDSS | 0.522 |
FU | 0.0143496 |
CYP1A2-inh | 0.663 |
CYP1A2-sub | 0.913 |
CYP2c19-inh | 0.207 |
CYP2c19-sub | 0.673 |
CYP2c9-inh | 0.441 |
CYP2c9-sub | 0.829 |
CYP2d6-inh | 0.42 |
CYP2d6-sub | 0.919 |
CYP3a4-inh | 0.663 |
CYP3a4-sub | 0.715 |
CL | 14.188 |
T12 | 0.903 |
hERG | 0.124 |
Ames | 0.034 |
ROA | 0.066 |
SkinSen | 0.936 |
Carcinogencity | 0.346 |
EI | 0.478 |
Respiratory | 0.508 |
NR-Aromatase | 0.757 |
Antiviral | No |
Prediction | 0.635365 |