Chemoinformaics analysis of (Z)-DEC-4-EN-1-OL
Molecular Weight | 156.269 | nRot | 7 |
Heavy Atom Molecular Weight | 136.109 | nRig | 22 |
Exact Molecular Weight | 156.151 | nRing | 0 |
Solubility: LogS | -4.584 | nHRing | 0 |
Solubility: LogP | 3.023 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 30.8379 |
nHD | 1 | BPOL | 20.0641 |
QED | 0.694 |
Synth | 2.842 |
Natural Product Likeliness | 0.524 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.987 |
Pgp-sub | 0.009 |
HIA | 0.003 |
CACO-2 | -5.028 |
MDCK | 0.0000387 |
BBB | 0.978 |
PPB | 0.900269 |
VDSS | 2.202 |
FU | 0.0451708 |
CYP1A2-inh | 0.912 |
CYP1A2-sub | 0.952 |
CYP2c19-inh | 0.114 |
CYP2c19-sub | 0.948 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.857 |
CYP2d6-inh | 0.762 |
CYP2d6-sub | 0.947 |
CYP3a4-inh | 0.873 |
CYP3a4-sub | 0.87 |
CL | 11.682 |
T12 | 0.241 |
hERG | 0.669 |
Ames | 0.07 |
ROA | 0.856 |
SkinSen | 0.725 |
Carcinogencity | 0.579 |
EI | 0.011 |
Respiratory | 0.953 |
NR-Aromatase | 0.088 |
Antiviral | No |
Prediction | 0.91695 |