Chemoinformaics analysis of Tricosane
Molecular Weight | 324.637 | nRot | 20 |
Heavy Atom Molecular Weight | 276.253 | nRig | 24 |
Exact Molecular Weight | 324.376 | nRing | 0 |
Solubility: LogS | -2.898 | nHRing | 0 |
Solubility: LogP | 2.317 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 71 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 48 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | 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 | 70.4161 |
nHD | 0 | BPOL | 48.1539 |
QED | 0.657 |
Synth | 5.099 |
Natural Product Likeliness | 2.375 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0.921 |
HIA | 0.009 |
CACO-2 | -4.877 |
MDCK | 0.0000265 |
BBB | 0.983 |
PPB | 0.530355 |
VDSS | 1.964 |
FU | 0.50251 |
CYP1A2-inh | 0.056 |
CYP1A2-sub | 0.902 |
CYP2c19-inh | 0.192 |
CYP2c19-sub | 0.878 |
CYP2c9-inh | 0.179 |
CYP2c9-sub | 0.514 |
CYP2d6-inh | 0.866 |
CYP2d6-sub | 0.859 |
CYP3a4-inh | 0.881 |
CYP3a4-sub | 0.592 |
CL | 10.13 |
T12 | 0.349 |
hERG | 0.253 |
Ames | 0.05 |
ROA | 0.738 |
SkinSen | 0.041 |
Carcinogencity | 0.937 |
EI | 0.023 |
Respiratory | 0.911 |
NR-Aromatase | 0.729 |
Antiviral | No |
Prediction | 0.769352 |