Chemoinformaics analysis of Mustakone
Molecular Weight | 218.34 | nRot | 1 |
Heavy Atom Molecular Weight | 196.164 | nRig | 13 |
Exact Molecular Weight | 218.167 | nRing | 4 |
Solubility: LogS | -3.735 | nHRing | 0 |
Solubility: LogP | 3.6 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 4 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 22 | 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 | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 40.5214 |
nHD | 0 | BPOL | 22.9386 |
QED | 0.615 |
Synth | 5.423 |
Natural Product Likeliness | 1.874 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.006 |
CACO-2 | -4.539 |
MDCK | 0.0000229 |
BBB | 0.96 |
PPB | 0.911438 |
VDSS | 1.788 |
FU | 0.0488614 |
CYP1A2-inh | 0.101 |
CYP1A2-sub | 0.475 |
CYP2c19-inh | 0.158 |
CYP2c19-sub | 0.934 |
CYP2c9-inh | 0.266 |
CYP2c9-sub | 0.192 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.285 |
CYP3a4-inh | 0.301 |
CYP3a4-sub | 0.574 |
CL | 18.12 |
T12 | 0.071 |
hERG | 0.01 |
Ames | 0.017 |
ROA | 0.499 |
SkinSen | 0.131 |
Carcinogencity | 0.347 |
EI | 0.49 |
Respiratory | 0.934 |
NR-Aromatase | 0.021 |
Antiviral | Yes |
Prediction | 0.879098 |