Chemoinformaics analysis of Mukoline
Molecular Weight | 227.263 | nRot | 2 |
Heavy Atom Molecular Weight | 214.159 | nRig | 15 |
Exact Molecular Weight | 227.095 | nRing | 3 |
Solubility: LogS | -3.575 | nHRing | 1 |
Solubility: LogP | 2.57 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 2 | No. of Arom Bond | 15 |
nHA | 2 | APOL | 34.7523 |
nHD | 2 | BPOL | 15.3477 |
QED | 0.707 |
Synth | 1.992 |
Natural Product Likeliness | 0.469 |
NR-PPAR-gamma | 0.089 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.016 |
Pgp-sub | 0.011 |
HIA | 0.017 |
CACO-2 | -4.807 |
MDCK | 0.0000117 |
BBB | 0.891 |
PPB | 0.842352 |
VDSS | 0.886 |
FU | 0.0882077 |
CYP1A2-inh | 0.992 |
CYP1A2-sub | 0.945 |
CYP2c19-inh | 0.792 |
CYP2c19-sub | 0.364 |
CYP2c9-inh | 0.483 |
CYP2c9-sub | 0.871 |
CYP2d6-inh | 0.915 |
CYP2d6-sub | 0.905 |
CYP3a4-inh | 0.711 |
CYP3a4-sub | 0.587 |
CL | 8.099 |
T12 | 0.696 |
hERG | 0.027 |
Ames | 0.692 |
ROA | 0.071 |
SkinSen | 0.596 |
Carcinogencity | 0.834 |
EI | 0.948 |
Respiratory | 0.967 |
NR-Aromatase | 0.455 |
Antiviral | Yes |
Prediction | 0.706466 |