Chemoinformaics analysis of Lirinine
Molecular Weight | 311.381 | nRot | 2 |
Heavy Atom Molecular Weight | 290.213 | nRig | 20 |
Exact Molecular Weight | 311.152 | nRing | 4 |
Solubility: LogS | -1.8 | nHRing | 1 |
Solubility: LogP | 2.81 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | 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 | 19 | 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 | 49.2387 |
nHD | 1 | BPOL | 26.2493 |
QED | 0.925 |
Synth | 3.046 |
Natural Product Likeliness | 1.509 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.066 |
Pgp-sub | 0.907 |
HIA | 0.005 |
CACO-2 | -4.815 |
MDCK | 0.0000265 |
BBB | 0.995 |
PPB | 0.942264 |
VDSS | 1.52 |
FU | 0.0562142 |
CYP1A2-inh | 0.595 |
CYP1A2-sub | 0.963 |
CYP2c19-inh | 0.057 |
CYP2c19-sub | 0.936 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.77 |
CYP2d6-inh | 0.314 |
CYP2d6-sub | 0.9 |
CYP3a4-inh | 0.088 |
CYP3a4-sub | 0.916 |
CL | 5.772 |
T12 | 0.362 |
hERG | 0.236 |
Ames | 0.415 |
ROA | 0.857 |
SkinSen | 0.304 |
Carcinogencity | 0.061 |
EI | 0.011 |
Respiratory | 0.901 |
NR-Aromatase | 0.184 |
Antiviral | Yes |
Prediction | 0.774266 |