Chemoinformaics analysis of TYRAMINE
Molecular Weight | 137.182 | nRot | 2 |
Heavy Atom Molecular Weight | 126.094 | nRig | 6 |
Exact Molecular Weight | 137.084 | nRing | 1 |
Solubility: LogS | -0.616 | nHRing | 0 |
Solubility: LogP | 0.311 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | 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 | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 22.5967 |
nHD | 2 | BPOL | 10.4653 |
QED | 0.636 |
Synth | 1.625 |
Natural Product Likeliness | 0.758 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.624 |
CACO-2 | -4.863 |
MDCK | 0.0000721 |
BBB | 0.181 |
PPB | 0.169503 |
VDSS | 2.958 |
FU | 0.751895 |
CYP1A2-inh | 0.401 |
CYP1A2-sub | 0.755 |
CYP2c19-inh | 0.093 |
CYP2c19-sub | 0.158 |
CYP2c9-inh | 0.023 |
CYP2c9-sub | 0.832 |
CYP2d6-inh | 0.436 |
CYP2d6-sub | 0.909 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.241 |
CL | 13.101 |
T12 | 0.851 |
hERG | 0.133 |
Ames | 0.101 |
ROA | 0.926 |
SkinSen | 0.873 |
Carcinogencity | 0.091 |
EI | 0.45 |
Respiratory | 0.813 |
NR-Aromatase | 0.011 |
Antiviral | No |
Prediction | 0.908481 |