Chemoinformaics analysis of METAPHANINE
Molecular Weight | 345.395 | nRot | 2 |
Heavy Atom Molecular Weight | 322.211 | nRig | 23 |
Exact Molecular Weight | 345.158 | nRing | 5 |
Solubility: LogS | -3.516 | nHRing | 2 |
Solubility: LogP | 1.755 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 19 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 52.1762 |
nHD | 1 | BPOL | 30.8598 |
QED | 0.877 |
Synth | 5.718 |
Natural Product Likeliness | 2.626 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.752 |
HIA | 0.013 |
CACO-2 | -4.832 |
MDCK | 0.000021 |
BBB | 0.994 |
PPB | 0.358728 |
VDSS | 2.097 |
FU | 0.516061 |
CYP1A2-inh | 0.037 |
CYP1A2-sub | 0.973 |
CYP2c19-inh | 0.048 |
CYP2c19-sub | 0.965 |
CYP2c9-inh | 0.044 |
CYP2c9-sub | 0.217 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.787 |
CYP3a4-inh | 0.068 |
CYP3a4-sub | 0.959 |
CL | 7.118 |
T12 | 0.244 |
hERG | 0.087 |
Ames | 0.774 |
ROA | 0.941 |
SkinSen | 0.076 |
Carcinogencity | 0.958 |
EI | 0.012 |
Respiratory | 0.919 |
NR-Aromatase | 0.845 |
Antiviral | Yes |
Prediction | 0.531809 |