Chemoinformaics analysis of 2,4-DECADIENAL
Molecular Weight | 152.237 | nRot | 6 |
Heavy Atom Molecular Weight | 136.109 | nRig | 3 |
Exact Molecular Weight | 152.12 | nRing | 0 |
Solubility: LogS | -2.412 | nHRing | 0 |
Solubility: LogP | 2.583 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | 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 | 16 | 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 | 28.1707 |
nHD | 0 | BPOL | 16.9193 |
QED | 0.325 |
Synth | 3.009 |
Natural Product Likeliness | 2.432 |
NR-PPAR-gamma | 0.021 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.007 |
Pgp-sub | 0.003 |
HIA | 0.005 |
CACO-2 | -4.562 |
MDCK | 0.0000261 |
BBB | 0.992 |
PPB | 0.476425 |
VDSS | 1.185 |
FU | 0.316528 |
CYP1A2-inh | 0.457 |
CYP1A2-sub | 0.679 |
CYP2c19-inh | 0.095 |
CYP2c19-sub | 0.769 |
CYP2c9-inh | 0.031 |
CYP2c9-sub | 0.763 |
CYP2d6-inh | 0.028 |
CYP2d6-sub | 0.832 |
CYP3a4-inh | 0.05 |
CYP3a4-sub | 0.212 |
CL | 5.601 |
T12 | 0.687 |
hERG | 0.037 |
Ames | 0.884 |
ROA | 0.891 |
SkinSen | 0.984 |
Carcinogencity | 0.648 |
EI | 0.989 |
Respiratory | 0.961 |
NR-Aromatase | 0.483 |
Antiviral | No |
Prediction | 0.932189 |