Chemoinformaics analysis of METHYL-AMINE
Molecular Weight | 31.058 | nRot | 0 |
Heavy Atom Molecular Weight | 26.018 | nRig | 0 |
Exact Molecular Weight | 31.0422 | nRing | 0 |
Solubility: LogS | 1.148 | nHRing | 0 |
Solubility: LogP | -0.857 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 7 | 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 | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 6.10396 |
nHD | 1 | BPOL | 4.44603 |
QED | 0.385 |
Synth | 2.996 |
Natural Product Likeliness | 0.01 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.008 |
HIA | 0.006 |
CACO-2 | -5.068 |
MDCK | 0.00185916 |
BBB | 0.713 |
PPB | 0.0565603 |
VDSS | 1.156 |
FU | 0.906335 |
CYP1A2-inh | 0.183 |
CYP1A2-sub | 0.423 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.411 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.39 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.863 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.174 |
CL | 6.87 |
T12 | 0.717 |
hERG | 0.021 |
Ames | 0.097 |
ROA | 0.942 |
SkinSen | 0.644 |
Carcinogencity | 0.555 |
EI | 0.413 |
Respiratory | 0.922 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.910667 |