Chemoinformaics analysis of Norpluviine
Molecular Weight | 273.332 | nRot | 1 |
Heavy Atom Molecular Weight | 254.18 | nRig | 19 |
Exact Molecular Weight | 273.137 | nRing | 4 |
Solubility: LogS | -1.663 | nHRing | 2 |
Solubility: LogP | 1.373 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 42.8951 |
nHD | 2 | BPOL | 22.5069 |
QED | 0.766 |
Synth | 3.976 |
Natural Product Likeliness | 2.497 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0.774 |
HIA | 0.018 |
CACO-2 | -4.618 |
MDCK | 0.00000997 |
BBB | 0.997 |
PPB | 0.694027 |
VDSS | 2.535 |
FU | 0.230937 |
CYP1A2-inh | 0.198 |
CYP1A2-sub | 0.609 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.827 |
CYP2c9-inh | 0.016 |
CYP2c9-sub | 0.599 |
CYP2d6-inh | 0.709 |
CYP2d6-sub | 0.854 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.541 |
CL | 15.718 |
T12 | 0.786 |
hERG | 0.019 |
Ames | 0.053 |
ROA | 0.814 |
SkinSen | 0.107 |
Carcinogencity | 0.939 |
EI | 0.028 |
Respiratory | 0.961 |
NR-Aromatase | 0.011 |
Antiviral | Yes |
Prediction | 0.721943 |