Chemoinformaics analysis of 15-HYDROXYHENICOSANOIC ACID
Molecular Weight | 342.564 | nRot | 19 |
Heavy Atom Molecular Weight | 300.228 | nRig | 27 |
Exact Molecular Weight | 342.313 | nRing | 0 |
Solubility: LogS | -4.193 | nHRing | 0 |
Solubility: LogP | 1.805 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 66 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 42 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 65.4813 |
nHD | 2 | BPOL | 43.0027 |
QED | 0.764 |
Synth | 6.713 |
Natural Product Likeliness | 2.783 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.977 |
Pgp-sub | 0.002 |
HIA | 0.01 |
CACO-2 | -4.88 |
MDCK | 0.0000449 |
BBB | 0.988 |
PPB | 0.32986 |
VDSS | 1.077 |
FU | 0.580079 |
CYP1A2-inh | 0.013 |
CYP1A2-sub | 0.949 |
CYP2c19-inh | 0.032 |
CYP2c19-sub | 0.974 |
CYP2c9-inh | 0.027 |
CYP2c9-sub | 0.259 |
CYP2d6-inh | 0.076 |
CYP2d6-sub | 0.771 |
CYP3a4-inh | 0.681 |
CYP3a4-sub | 0.933 |
CL | 11.862 |
T12 | 0.036 |
hERG | 0.112 |
Ames | 0.613 |
ROA | 0.736 |
SkinSen | 0.083 |
Carcinogencity | 0.701 |
EI | 0.01 |
Respiratory | 0.931 |
NR-Aromatase | 0.859 |
Antiviral | No |
Prediction | 0.637929 |