Chemoinformaics analysis of PROPYLENE
Molecular Weight | 42.081 | nRot | 0 |
Heavy Atom Molecular Weight | 36.033 | nRig | 1 |
Exact Molecular Weight | 42.047 | nRing | 0 |
Solubility: LogS | -2.031 | nHRing | 0 |
Solubility: LogP | 1.758 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 9 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 3 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 9.01076 |
nHD | 0 | BPOL | 6.01924 |
QED | 0.357 |
Synth | 3.007 |
Natural Product Likeliness | 1.071 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.003 |
CACO-2 | -4.165 |
MDCK | 0.0000341 |
BBB | 0.995 |
PPB | 0.627488 |
VDSS | 1.581 |
FU | 0.521864 |
CYP1A2-inh | 0.665 |
CYP1A2-sub | 0.831 |
CYP2c19-inh | 0.128 |
CYP2c19-sub | 0.879 |
CYP2c9-inh | 0.014 |
CYP2c9-sub | 0.791 |
CYP2d6-inh | 0.04 |
CYP2d6-sub | 0.842 |
CYP3a4-inh | 0.018 |
CYP3a4-sub | 0.276 |
CL | 8.287 |
T12 | 0.754 |
hERG | 0.01 |
Ames | 0.762 |
ROA | 0.063 |
SkinSen | 0.356 |
Carcinogencity | 0.115 |
EI | 0.996 |
Respiratory | 0.589 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.918361 |