Chemoinformaics analysis of FATTY-ACIDS
Molecular Weight | 326.257 | nRot | 7 |
Heavy Atom Molecular Weight | 312.145 | nRig | 10 |
Exact Molecular Weight | 326.064 | nRing | 1 |
Solubility: LogS | -1.228 | nHRing | 0 |
Solubility: LogP | -0.193 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 9 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 39.9331 |
nHD | 4 | BPOL | 20.1209 |
QED | 0.22 |
Synth | 3.13 |
Natural Product Likeliness | 0.973 |
NR-PPAR-gamma | 0.094 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.085 |
HIA | 0.945 |
CACO-2 | -6.103 |
MDCK | 0.000253337 |
BBB | 0.749 |
PPB | 0.798281 |
VDSS | 0.212 |
FU | 0.218932 |
CYP1A2-inh | 0.076 |
CYP1A2-sub | 0.051 |
CYP2c19-inh | 0.044 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.057 |
CYP2c9-sub | 0.723 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.163 |
CYP3a4-inh | 0.027 |
CYP3a4-sub | 0.059 |
CL | 3.279 |
T12 | 0.964 |
hERG | 0.013 |
Ames | 0.007 |
ROA | 0.01 |
SkinSen | 0.159 |
Carcinogencity | 0.093 |
EI | 0.016 |
Respiratory | 0.096 |
NR-Aromatase | 0.032 |
Antiviral | Yes |
Prediction | 0.556867 |