Chemoinformaics analysis of METHANOL
Molecular Weight | 32.042 | nRot | 0 |
Heavy Atom Molecular Weight | 28.01 | nRig | 0 |
Exact Molecular Weight | 32.0262 | nRing | 0 |
Solubility: LogS | 1.046 | nHRing | 0 |
Solubility: LogP | -0.577 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 6 | 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 | 4 | 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 | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 5.13917 |
nHD | 1 | BPOL | 4.01283 |
QED | 0.385 |
Synth | 2.701 |
Natural Product Likeliness | 0.479 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.086 |
HIA | 0.007 |
CACO-2 | -4.445 |
MDCK | 0.000958301 |
BBB | 0.801 |
PPB | 0.0521092 |
VDSS | 0.876 |
FU | 0.89199 |
CYP1A2-inh | 0.131 |
CYP1A2-sub | 0.678 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.766 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.351 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.445 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.158 |
CL | 6.371 |
T12 | 0.81 |
hERG | 0.018 |
Ames | 0.067 |
ROA | 0.02 |
SkinSen | 0.273 |
Carcinogencity | 0.625 |
EI | 0.99 |
Respiratory | 0.051 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.912667 |