Chemoinformaics analysis of Epsilon-N-Methyl-Lysine
Molecular Weight | 160.217 | nRot | 6 |
Heavy Atom Molecular Weight | 144.089 | nRig | 1 |
Exact Molecular Weight | 160.121 | nRing | 0 |
Solubility: LogS | -0.841 | nHRing | 0 |
Solubility: LogP | -3.397 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 26.1627 |
nHD | 3 | BPOL | 16.9193 |
QED | 0.47 |
Synth | 2.527 |
Natural Product Likeliness | 1.208 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.007 |
Pgp-sub | 0.006 |
HIA | 0.339 |
CACO-2 | -5.875 |
MDCK | 0.000305537 |
BBB | 0.367 |
PPB | 0.101419 |
VDSS | 0.902 |
FU | 0.984507 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.052 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.097 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.283 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.031 |
CL | 7.598 |
T12 | 0.537 |
hERG | 0.034 |
Ames | 0.026 |
ROA | 0.123 |
SkinSen | 0.643 |
Carcinogencity | 0.05 |
EI | 0.061 |
Respiratory | 0.64 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.944676 |