Chemoinformaics analysis of Tetracosenoic acid
Molecular Weight | 366.63 | nRot | 21 |
Heavy Atom Molecular Weight | 320.262 | nRig | 2 |
Exact Molecular Weight | 366.35 | nRing | 0 |
Solubility: LogS | -6.541 | nHRing | 0 |
Solubility: LogP | 9.649 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 72 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 24 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 72.3565 |
nHD | 1 | BPOL | 47.0155 |
QED | 0.163 |
Synth | 2.168 |
Natural Product Likeliness | 0.808 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.009 |
CACO-2 | -5.07 |
MDCK | 0.0000149 |
BBB | 0.018 |
PPB | 0.992889 |
VDSS | 1.329 |
FU | 0.00877744 |
CYP1A2-inh | 0.146 |
CYP1A2-sub | 0.151 |
CYP2c19-inh | 0.255 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.082 |
CYP2c9-sub | 0.994 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.029 |
CYP3a4-inh | 0.096 |
CYP3a4-sub | 0.008 |
CL | 2.844 |
T12 | 0.208 |
hERG | 0.114 |
Ames | 0.004 |
ROA | 0.007 |
SkinSen | 0.964 |
Carcinogencity | 0.06 |
EI | 0.95 |
Respiratory | 0.785 |
NR-Aromatase | 0.309 |
Antiviral | No |
Prediction | 0.567116 |