Chemoinformaics analysis of LEUCOPHLEOXOL
Molecular Weight | 320.473 | nRot | 1 |
Heavy Atom Molecular Weight | 288.217 | nRig | 19 |
Exact Molecular Weight | 320.235 | nRing | 4 |
Solubility: LogS | -4.065 | nHRing | 1 |
Solubility: LogP | 3.352 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 57.1434 |
nHD | 2 | BPOL | 33.8386 |
QED | 0.576 |
Synth | 5.021 |
Natural Product Likeliness | 3.332 |
NR-PPAR-gamma | 0.344 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.346 |
Pgp-sub | 0.025 |
HIA | 0.009 |
CACO-2 | -4.756 |
MDCK | 0.0000242 |
BBB | 0.874 |
PPB | 0.790873 |
VDSS | 1.858 |
FU | 0.264684 |
CYP1A2-inh | 0.013 |
CYP1A2-sub | 0.24 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.857 |
CYP2c9-inh | 0.075 |
CYP2c9-sub | 0.211 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.527 |
CYP3a4-inh | 0.136 |
CYP3a4-sub | 0.228 |
CL | 11.758 |
T12 | 0.053 |
hERG | 0.005 |
Ames | 0.041 |
ROA | 0.293 |
SkinSen | 0.044 |
Carcinogencity | 0.041 |
EI | 0.014 |
Respiratory | 0.88 |
NR-Aromatase | 0.866 |
Antiviral | Yes |
Prediction | 0.549047 |