Chemoinformaics analysis of LOTUSINE
Molecular Weight | 314.405 | nRot | 3 |
Heavy Atom Molecular Weight | 290.213 | nRig | 17 |
Exact Molecular Weight | 314.175 | nRing | 3 |
Solubility: LogS | 0.665 | nHRing | 1 |
Solubility: LogP | -0.282 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 47 | 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 | 24 | 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 | 3 | APOL | 51.239 |
nHD | 2 | BPOL | 28.093 |
QED | 0.856 |
Synth | 3.156 |
Natural Product Likeliness | 1.642 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.905 |
HIA | 0.993 |
CACO-2 | -5.531 |
MDCK | 0.00000692 |
BBB | 0.165 |
PPB | 0.369417 |
VDSS | 2.635 |
FU | 0.574001 |
CYP1A2-inh | 0.049 |
CYP1A2-sub | 0.952 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.723 |
CYP2d6-inh | 0.08 |
CYP2d6-sub | 0.94 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.518 |
CL | 5.162 |
T12 | 0.954 |
hERG | 0.106 |
Ames | 0.032 |
ROA | 0.205 |
SkinSen | 0.272 |
Carcinogencity | 0.043 |
EI | 0.017 |
Respiratory | 0.29 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.668622 |