Chemoinformaics analysis of Hexadecanamide
Molecular Weight | 255.446 | nRot | 14 |
Heavy Atom Molecular Weight | 222.182 | nRig | 1 |
Exact Molecular Weight | 255.256 | nRing | 0 |
Solubility: LogS | -5.087 | nHRing | 0 |
Solubility: LogP | 5.654 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | 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 | 33 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 50.6262 |
nHD | 1 | BPOL | 33.4038 |
QED | 0.438 |
Synth | 1.769 |
Natural Product Likeliness | 0.053 |
NR-PPAR-gamma | 0.62 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.001 |
HIA | 0.002 |
CACO-2 | -4.82 |
MDCK | 0.0000206 |
BBB | 0.687 |
PPB | 0.976165 |
VDSS | 1.021 |
FU | 0.0132027 |
CYP1A2-inh | 0.432 |
CYP1A2-sub | 0.205 |
CYP2c19-inh | 0.428 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.179 |
CYP2c9-sub | 0.899 |
CYP2d6-inh | 0.042 |
CYP2d6-sub | 0.074 |
CYP3a4-inh | 0.227 |
CYP3a4-sub | 0.038 |
CL | 4.583 |
T12 | 0.113 |
hERG | 0.332 |
Ames | 0.009 |
ROA | 0.017 |
SkinSen | 0.925 |
Carcinogencity | 0.052 |
EI | 0.931 |
Respiratory | 0.164 |
NR-Aromatase | 0.035 |
Antiviral | Yes |
Prediction | 0.73262 |