Chemoinformaics analysis of Myosmine
Molecular Weight | 146.193 | nRot | 1 |
Heavy Atom Molecular Weight | 136.113 | nRig | 12 |
Exact Molecular Weight | 146.084 | nRing | 2 |
Solubility: LogS | -2.275 | nHRing | 2 |
Solubility: LogP | 1.426 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 0 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 23.8979 |
nHD | 0 | BPOL | 12.3121 |
QED | 0.828 |
Synth | 3.012 |
Natural Product Likeliness | 1.65 |
NR-PPAR-gamma | 0.026 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.077 |
HIA | 0.029 |
CACO-2 | -4.782 |
MDCK | 0.0000346 |
BBB | 0.351 |
PPB | 0.75671 |
VDSS | 0.919 |
FU | 0.233585 |
CYP1A2-inh | 0.583 |
CYP1A2-sub | 0.845 |
CYP2c19-inh | 0.064 |
CYP2c19-sub | 0.49 |
CYP2c9-inh | 0.045 |
CYP2c9-sub | 0.786 |
CYP2d6-inh | 0.132 |
CYP2d6-sub | 0.684 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.258 |
CL | 9.996 |
T12 | 0.736 |
hERG | 0.012 |
Ames | 0.15 |
ROA | 0.283 |
SkinSen | 0.133 |
Carcinogencity | 0.826 |
EI | 0.034 |
Respiratory | 0.043 |
NR-Aromatase | 0.552 |
Antiviral | No |
Prediction | 0.877238 |