Chemoinformaics analysis of MUKULOL
Molecular Weight | 290.491 | nRot | 1 |
Heavy Atom Molecular Weight | 256.219 | nRig | 14 |
Exact Molecular Weight | 290.261 | nRing | 1 |
Solubility: LogS | -5.166 | nHRing | 0 |
Solubility: LogP | 7.08 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 56.873 |
nHD | 1 | BPOL | 34.109 |
QED | 0.604 |
Synth | 4.188 |
Natural Product Likeliness | 2.137 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.947 |
Pgp-sub | 0.007 |
HIA | 0.006 |
CACO-2 | -4.462 |
MDCK | 0.0000126 |
BBB | 0.243 |
PPB | 0.937358 |
VDSS | 5.533 |
FU | 0.0338287 |
CYP1A2-inh | 0.281 |
CYP1A2-sub | 0.206 |
CYP2c19-inh | 0.252 |
CYP2c19-sub | 0.532 |
CYP2c9-inh | 0.601 |
CYP2c9-sub | 0.951 |
CYP2d6-inh | 0.013 |
CYP2d6-sub | 0.109 |
CYP3a4-inh | 0.214 |
CYP3a4-sub | 0.29 |
CL | 8.031 |
T12 | 0.077 |
hERG | 0.029 |
Ames | 0.004 |
ROA | 0.017 |
SkinSen | 0.346 |
Carcinogencity | 0.435 |
EI | 0.126 |
Respiratory | 0.008 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.550396 |