Chemoinformaics analysis of Palmitic acid
Molecular Weight | 256.43 | nRot | 14 |
Heavy Atom Molecular Weight | 224.174 | nRig | 2 |
Exact Molecular Weight | 256.24 | nRing | 0 |
Solubility: LogS | -2.505 | nHRing | 0 |
Solubility: LogP | 2.912 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | 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 | 49.6614 |
nHD | 1 | BPOL | 32.9706 |
QED | 0.347 |
Synth | 2.452 |
Natural Product Likeliness | 1.285 |
NR-PPAR-gamma | 0.011 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.019 |
HIA | 0.003 |
CACO-2 | -4.146 |
MDCK | 0.0000425 |
BBB | 0.697 |
PPB | 0.780951 |
VDSS | 1.002 |
FU | 0.26254 |
CYP1A2-inh | 0.935 |
CYP1A2-sub | 0.235 |
CYP2c19-inh | 0.53 |
CYP2c19-sub | 0.458 |
CYP2c9-inh | 0.085 |
CYP2c9-sub | 0.72 |
CYP2d6-inh | 0.031 |
CYP2d6-sub | 0.259 |
CYP3a4-inh | 0.096 |
CYP3a4-sub | 0.222 |
CL | 13.165 |
T12 | 0.81 |
hERG | 0.051 |
Ames | 0.018 |
ROA | 0.012 |
SkinSen | 0.939 |
Carcinogencity | 0.67 |
EI | 0.983 |
Respiratory | 0.15 |
NR-Aromatase | 0.012 |
Antiviral | Yes |
Prediction | 0.746245 |