Chemoinformaics analysis of Pristane
Molecular Weight | 268.529 | nRot | 12 |
Heavy Atom Molecular Weight | 228.209 | nRig | 0 |
Exact Molecular Weight | 268.313 | nRing | 0 |
Solubility: LogS | -7.215 | nHRing | 0 |
Solubility: LogP | 8.45 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 40 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | 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 | 58.4017 |
nHD | 0 | BPOL | 40.1283 |
QED | 0.354 |
Synth | 2.664 |
Natural Product Likeliness | 0.472 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.028 |
Pgp-sub | 0.002 |
HIA | 0.003 |
CACO-2 | -4.494 |
MDCK | 0.00000768 |
BBB | 0.384 |
PPB | 0.981517 |
VDSS | 2.77 |
FU | 0.0225287 |
CYP1A2-inh | 0.148 |
CYP1A2-sub | 0.184 |
CYP2c19-inh | 0.3 |
CYP2c19-sub | 0.681 |
CYP2c9-inh | 0.325 |
CYP2c9-sub | 0.962 |
CYP2d6-inh | 0.021 |
CYP2d6-sub | 0.023 |
CYP3a4-inh | 0.145 |
CYP3a4-sub | 0.122 |
CL | 6.582 |
T12 | 0.032 |
hERG | 0.032 |
Ames | 0.004 |
ROA | 0.017 |
SkinSen | 0.932 |
Carcinogencity | 0.037 |
EI | 0.95 |
Respiratory | 0.124 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.601011 |