Chemoinformaics analysis of TETRADECYLAMINE
Molecular Weight | 213.409 | nRot | 12 |
Heavy Atom Molecular Weight | 182.161 | nRig | 0 |
Exact Molecular Weight | 213.246 | nRing | 0 |
Solubility: LogS | -4.678 | nHRing | 0 |
Solubility: LogP | 5.386 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 31 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 45.1506 |
nHD | 1 | BPOL | 30.5294 |
QED | 0.469 |
Synth | 1.594 |
Natural Product Likeliness | 0.385 |
NR-PPAR-gamma | 0.04 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.004 |
HIA | 0.01 |
CACO-2 | -4.842 |
MDCK | 0.000013 |
BBB | 0.694 |
PPB | 0.921314 |
VDSS | 2.754 |
FU | 0.0552656 |
CYP1A2-inh | 0.735 |
CYP1A2-sub | 0.215 |
CYP2c19-inh | 0.487 |
CYP2c19-sub | 0.124 |
CYP2c9-inh | 0.135 |
CYP2c9-sub | 0.753 |
CYP2d6-inh | 0.764 |
CYP2d6-sub | 0.666 |
CYP3a4-inh | 0.353 |
CYP3a4-sub | 0.077 |
CL | 4.417 |
T12 | 0.119 |
hERG | 0.441 |
Ames | 0.008 |
ROA | 0.624 |
SkinSen | 0.948 |
Carcinogencity | 0.057 |
EI | 0.857 |
Respiratory | 0.945 |
NR-Aromatase | 0.056 |
Antiviral | Yes |
Prediction | 0.785269 |