Chemoinformaics analysis of Norcinnamolaurine
Molecular Weight | 283.327 | nRot | 2 |
Heavy Atom Molecular Weight | 266.191 | nRig | 21 |
Exact Molecular Weight | 283.121 | nRing | 4 |
Solubility: LogS | -2.373 | nHRing | 2 |
Solubility: LogP | 1.988 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 43.2315 |
nHD | 2 | BPOL | 21.0965 |
QED | 0.889 |
Synth | 2.796 |
Natural Product Likeliness | 1.216 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.035 |
Pgp-sub | 0.796 |
HIA | 0.003 |
CACO-2 | -5.075 |
MDCK | 0.0000168 |
BBB | 0.788 |
PPB | 0.786021 |
VDSS | 1.393 |
FU | 0.134008 |
CYP1A2-inh | 0.945 |
CYP1A2-sub | 0.427 |
CYP2c19-inh | 0.868 |
CYP2c19-sub | 0.467 |
CYP2c9-inh | 0.065 |
CYP2c9-sub | 0.432 |
CYP2d6-inh | 0.986 |
CYP2d6-sub | 0.92 |
CYP3a4-inh | 0.803 |
CYP3a4-sub | 0.667 |
CL | 17.297 |
T12 | 0.484 |
hERG | 0.458 |
Ames | 0.573 |
ROA | 0.513 |
SkinSen | 0.702 |
Carcinogencity | 0.442 |
EI | 0.011 |
Respiratory | 0.851 |
NR-Aromatase | 0.056 |
Antiviral | Yes |
Prediction | 0.72469 |