Chemoinformaics analysis of ARACHIDIC-ACID
Molecular Weight | 312.538 | nRot | 18 |
Heavy Atom Molecular Weight | 272.218 | nRig | 1 |
Exact Molecular Weight | 312.303 | nRing | 0 |
Solubility: LogS | -6.259 | nHRing | 0 |
Solubility: LogP | 8.389 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 62 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | 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 | 20 | 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 | 61.6757 |
nHD | 1 | BPOL | 40.9963 |
QED | 0.274 |
Synth | 1.665 |
Natural Product Likeliness | 0.315 |
NR-PPAR-gamma | 0.979 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -5.099 |
MDCK | 0.0000174 |
BBB | 0.017 |
PPB | 0.991281 |
VDSS | 0.887 |
FU | 0.00821031 |
CYP1A2-inh | 0.209 |
CYP1A2-sub | 0.174 |
CYP2c19-inh | 0.265 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.092 |
CYP2c9-sub | 0.993 |
CYP2d6-inh | 0.014 |
CYP2d6-sub | 0.036 |
CYP3a4-inh | 0.05 |
CYP3a4-sub | 0.011 |
CL | 2.523 |
T12 | 0.356 |
hERG | 0.102 |
Ames | 0.005 |
ROA | 0.019 |
SkinSen | 0.942 |
Carcinogencity | 0.041 |
EI | 0.95 |
Respiratory | 0.891 |
NR-Aromatase | 0.097 |
Antiviral | No |
Prediction | 0.570243 |