Chemoinformaics analysis of L(+)-Tyrosine
Molecular Weight | 223.228 | nRot | 4 |
Heavy Atom Molecular Weight | 210.124 | nRig | 8 |
Exact Molecular Weight | 223.084 | nRing | 1 |
Solubility: LogS | -1.65 | nHRing | 0 |
Solubility: LogP | 0.166 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 31.3463 |
nHD | 3 | BPOL | 15.3477 |
QED | 0.694 |
Synth | 2.144 |
Natural Product Likeliness | 0.306 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.045 |
HIA | 0.025 |
CACO-2 | -5.915 |
MDCK | 0.0000689 |
BBB | 0.243 |
PPB | 0.245216 |
VDSS | 0.227 |
FU | 0.718061 |
CYP1A2-inh | 0.013 |
CYP1A2-sub | 0.063 |
CYP2c19-inh | 0.042 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.013 |
CYP2c9-sub | 0.905 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.222 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0.045 |
CL | 2.103 |
T12 | 0.844 |
hERG | 0.013 |
Ames | 0.009 |
ROA | 0.024 |
SkinSen | 0.139 |
Carcinogencity | 0.091 |
EI | 0.055 |
Respiratory | 0.024 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.686679 |