Chemoinformaics analysis of Musizin
Molecular Weight | 216.236 | nRot | 1 |
Heavy Atom Molecular Weight | 204.14 | nRig | 12 |
Exact Molecular Weight | 216.079 | nRing | 2 |
Solubility: LogS | -3.244 | nHRing | 0 |
Solubility: LogP | 3.247 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 3 | No. of Arom Bond | 11 |
nHA | 3 | APOL | 32.1175 |
nHD | 2 | BPOL | 12.9065 |
QED | 0.72 |
Synth | 2.25 |
Natural Product Likeliness | 1.132 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.001 |
HIA | 0.007 |
CACO-2 | -4.813 |
MDCK | 0.0000156 |
BBB | 0.12 |
PPB | 0.978312 |
VDSS | 0.467 |
FU | 0.0176449 |
CYP1A2-inh | 0.984 |
CYP1A2-sub | 0.846 |
CYP2c19-inh | 0.516 |
CYP2c19-sub | 0.089 |
CYP2c9-inh | 0.644 |
CYP2c9-sub | 0.796 |
CYP2d6-inh | 0.716 |
CYP2d6-sub | 0.448 |
CYP3a4-inh | 0.427 |
CYP3a4-sub | 0.183 |
CL | 6.049 |
T12 | 0.739 |
hERG | 0.015 |
Ames | 0.61 |
ROA | 0.288 |
SkinSen | 0.9 |
Carcinogencity | 0.803 |
EI | 0.982 |
Respiratory | 0.882 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.677812 |