Chemoinformaics analysis of TYROSINE
Molecular Weight | 181.191 | nRot | 3 |
Heavy Atom Molecular Weight | 170.103 | nRig | 7 |
Exact Molecular Weight | 181.074 | nRing | 1 |
Solubility: LogS | -2.178 | nHRing | 0 |
Solubility: LogP | -2.191 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 1 |
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 | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 25.8707 |
nHD | 3 | BPOL | 11.3333 |
QED | 0.628 |
Synth | 2.149 |
Natural Product Likeliness | 0.878 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.51 |
HIA | 0.013 |
CACO-2 | -5.803 |
MDCK | 0.00132532 |
BBB | 0.151 |
PPB | 0.251914 |
VDSS | 0.424 |
FU | 0.774611 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.044 |
CYP2c19-inh | 0.054 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.592 |
CYP2d6-inh | 0.026 |
CYP2d6-sub | 0.358 |
CYP3a4-inh | 0.054 |
CYP3a4-sub | 0.062 |
CL | 18.458 |
T12 | 0.829 |
hERG | 0.089 |
Ames | 0.023 |
ROA | 0.728 |
SkinSen | 0.294 |
Carcinogencity | 0.141 |
EI | 0.098 |
Respiratory | 0.156 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.888058 |