Chemoinformaics analysis of LUBIMIN
Molecular Weight | 236.355 | nRot | 2 |
Heavy Atom Molecular Weight | 212.163 | nRig | 13 |
Exact Molecular Weight | 236.178 | nRing | 2 |
Solubility: LogS | -3.391 | nHRing | 0 |
Solubility: LogP | 2.375 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 42.657 |
nHD | 1 | BPOL | 24.945 |
QED | 0.591 |
Synth | 4.988 |
Natural Product Likeliness | 3.083 |
NR-PPAR-gamma | 0.787 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.017 |
HIA | 0.011 |
CACO-2 | -4.476 |
MDCK | 0.0000204 |
BBB | 0.873 |
PPB | 0.491857 |
VDSS | 1.545 |
FU | 0.533389 |
CYP1A2-inh | 0.027 |
CYP1A2-sub | 0.445 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.781 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.162 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.489 |
CYP3a4-inh | 0.273 |
CYP3a4-sub | 0.304 |
CL | 14.759 |
T12 | 0.427 |
hERG | 0.02 |
Ames | 0.007 |
ROA | 0.018 |
SkinSen | 0.932 |
Carcinogencity | 0.466 |
EI | 0.899 |
Respiratory | 0.912 |
NR-Aromatase | 0.021 |
Antiviral | Yes |
Prediction | 0.929351 |