Chemoinformaics analysis of Nororientaline
Molecular Weight | 315.369 | nRot | 4 |
Heavy Atom Molecular Weight | 294.201 | nRig | 17 |
Exact Molecular Weight | 315.147 | nRing | 3 |
Solubility: LogS | -1.676 | nHRing | 1 |
Solubility: LogP | 1.559 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 48.3707 |
nHD | 3 | BPOL | 25.1093 |
QED | 0.809 |
Synth | 2.81 |
Natural Product Likeliness | 1.257 |
NR-PPAR-gamma | 0.031 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.01 |
Pgp-sub | 0.233 |
HIA | 0.014 |
CACO-2 | -4.996 |
MDCK | 0.00000958 |
BBB | 0.058 |
PPB | 0.544401 |
VDSS | 1.579 |
FU | 0.235374 |
CYP1A2-inh | 0.191 |
CYP1A2-sub | 0.95 |
CYP2c19-inh | 0.176 |
CYP2c19-sub | 0.691 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.637 |
CYP2d6-inh | 0.493 |
CYP2d6-sub | 0.933 |
CYP3a4-inh | 0.049 |
CYP3a4-sub | 0.866 |
CL | 12.104 |
T12 | 0.853 |
hERG | 0.512 |
Ames | 0.17 |
ROA | 0.638 |
SkinSen | 0.875 |
Carcinogencity | 0.055 |
EI | 0.01 |
Respiratory | 0.883 |
NR-Aromatase | 0.466 |
Antiviral | Yes |
Prediction | 0.707239 |