Chemoinformaics analysis of Pratorimine
Molecular Weight | 265.268 | nRot | 1 |
Heavy Atom Molecular Weight | 254.18 | nRig | 20 |
Exact Molecular Weight | 265.074 | nRing | 4 |
Solubility: LogS | -5.904 | nHRing | 2 |
Solubility: LogP | 3.025 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 19 |
nHA | 4 | APOL | 37.5607 |
nHD | 1 | BPOL | 15.3493 |
QED | 0.538 |
Synth | 2.329 |
Natural Product Likeliness | 0.462 |
NR-PPAR-gamma | 0.432 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.001 |
HIA | 0.031 |
CACO-2 | -4.795 |
MDCK | 0.0000221 |
BBB | 0.329 |
PPB | 0.933991 |
VDSS | 0.475 |
FU | 0.0390501 |
CYP1A2-inh | 0.961 |
CYP1A2-sub | 0.876 |
CYP2c19-inh | 0.786 |
CYP2c19-sub | 0.251 |
CYP2c9-inh | 0.547 |
CYP2c9-sub | 0.885 |
CYP2d6-inh | 0.525 |
CYP2d6-sub | 0.867 |
CYP3a4-inh | 0.537 |
CYP3a4-sub | 0.188 |
CL | 10.596 |
T12 | 0.345 |
hERG | 0.046 |
Ames | 0.945 |
ROA | 0.122 |
SkinSen | 0.547 |
Carcinogencity | 0.961 |
EI | 0.813 |
Respiratory | 0.411 |
NR-Aromatase | 0.453 |
Antiviral | Yes |
Prediction | 0.714627 |