Chemoinformaics analysis of 5-Decanol
Molecular Weight | 158.285 | nRot | 7 |
Heavy Atom Molecular Weight | 136.109 | nRig | 25 |
Exact Molecular Weight | 158.167 | nRing | 0 |
Solubility: LogS | -4.553 | nHRing | 0 |
Solubility: LogP | 5.195 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | 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 | 22 | 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 | 32.1714 |
nHD | 1 | BPOL | 22.0706 |
QED | 0.419 |
Synth | 5.112 |
Natural Product Likeliness | 2.606 |
NR-PPAR-gamma | 0.049 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.95 |
Pgp-sub | 0 |
HIA | 0.022 |
CACO-2 | -5.023 |
MDCK | 0.0000155 |
BBB | 0.922 |
PPB | 0.946529 |
VDSS | 1.035 |
FU | 0.0424713 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.448 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.947 |
CYP2c9-inh | 0.086 |
CYP2c9-sub | 0.172 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.446 |
CYP3a4-inh | 0.196 |
CYP3a4-sub | 0.268 |
CL | 14.72 |
T12 | 0.024 |
hERG | 0.013 |
Ames | 0.034 |
ROA | 0.147 |
SkinSen | 0.069 |
Carcinogencity | 0.008 |
EI | 0.012 |
Respiratory | 0.928 |
NR-Aromatase | 0.799 |
Antiviral | No |
Prediction | 0.855933 |