Chemoinformaics analysis of L-methionine
Molecular Weight | 149.215 | nRot | 4 |
Heavy Atom Molecular Weight | 138.127 | nRig | 1 |
Exact Molecular Weight | 149.051 | nRing | 0 |
Solubility: LogS | -1.185 | nHRing | 0 |
Solubility: LogP | -2.21 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 21.2887 |
nHD | 2 | BPOL | 13.7933 |
QED | 0.597 |
Synth | 2.64 |
Natural Product Likeliness | 0.343 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.026 |
HIA | 0.008 |
CACO-2 | -5.747 |
MDCK | 0.00000896 |
BBB | 0.605 |
PPB | 0.119727 |
VDSS | 0.485 |
FU | 0.859012 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.063 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.063 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.319 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.24 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.057 |
CL | 9.051 |
T12 | 0.786 |
hERG | 0.015 |
Ames | 0.011 |
ROA | 0.101 |
SkinSen | 0.147 |
Carcinogencity | 0.287 |
EI | 0.105 |
Respiratory | 0.235 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.942656 |