Chemoinformaics analysis of Tetratriacontane
Molecular Weight | 478.934 | nRot | 31 |
Heavy Atom Molecular Weight | 408.374 | nRig | 27 |
Exact Molecular Weight | 478.548 | nRing | 0 |
Solubility: LogS | -3.672 | nHRing | 0 |
Solubility: LogP | 3.861 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 104 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 70 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 34 | 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 | 103.456 |
nHD | 0 | BPOL | 70.2245 |
QED | 0.633 |
Synth | 4.108 |
Natural Product Likeliness | 1.367 |
NR-PPAR-gamma | 0.133 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.857 |
Pgp-sub | 0.982 |
HIA | 0.004 |
CACO-2 | -5.203 |
MDCK | 0.0000168 |
BBB | 0.537 |
PPB | 0.957604 |
VDSS | 1.381 |
FU | 0.0541582 |
CYP1A2-inh | 0.072 |
CYP1A2-sub | 0.94 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.912 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.421 |
CYP2d6-inh | 0.473 |
CYP2d6-sub | 0.925 |
CYP3a4-inh | 0.055 |
CYP3a4-sub | 0.924 |
CL | 12.021 |
T12 | 0.608 |
hERG | 0.92 |
Ames | 0.03 |
ROA | 0.178 |
SkinSen | 0.868 |
Carcinogencity | 0.028 |
EI | 0.008 |
Respiratory | 0.871 |
NR-Aromatase | 0.144 |
Antiviral | No |
Prediction | 0.598855 |