Chemoinformaics analysis of Methiodide
Molecular Weight | 141.939 | nRot | 0 |
Heavy Atom Molecular Weight | 138.915 | nRig | 0 |
Exact Molecular Weight | 141.928 | nRing | 0 |
Solubility: LogS | -1.601 | nHRing | 0 |
Solubility: LogP | 1.586 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 5 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 2 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 3 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 9.02038 |
nHD | 0 | BPOL | 6.68962 |
QED | 0.35 |
Synth | 4.273 |
Natural Product Likeliness | -0.382 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.004 |
CACO-2 | -4.123 |
MDCK | 0.0000344 |
BBB | 0.992 |
PPB | 0.361174 |
VDSS | 1.242 |
FU | 0.730024 |
CYP1A2-inh | 0.849 |
CYP1A2-sub | 0.924 |
CYP2c19-inh | 0.091 |
CYP2c19-sub | 0.881 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.625 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.711 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.315 |
CL | 7.676 |
T12 | 0.765 |
hERG | 0.025 |
Ames | 0.888 |
ROA | 0.936 |
SkinSen | 0.608 |
Carcinogencity | 0.863 |
EI | 0.996 |
Respiratory | 0.976 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.915667 |