Chemoinformaics analysis of L(+)-Tyrosine
Molecular Weight | 225.155 | nRot | 3 |
Heavy Atom Molecular Weight | 216.083 | nRig | 7 |
Exact Molecular Weight | 225.038 | nRing | 1 |
Solubility: LogS | -1.118 | nHRing | 0 |
Solubility: LogP | -1.9 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 1 |
Base Count | 3 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | 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 | 4 | APOL | 72.7571 |
nHD | 1 | BPOL | 11.0629 |
QED | 0.603 |
Synth | 3.909 |
Natural Product Likeliness | 0.084 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.004 |
HIA | 0.005 |
CACO-2 | -4.793 |
MDCK | 0.000115209 |
BBB | 0.409 |
PPB | 0.25031 |
VDSS | 0.419 |
FU | 0.781449 |
CYP1A2-inh | 0.042 |
CYP1A2-sub | 0.038 |
CYP2c19-inh | 0.055 |
CYP2c19-sub | 0.094 |
CYP2c9-inh | 0.03 |
CYP2c9-sub | 0.719 |
CYP2d6-inh | 0.027 |
CYP2d6-sub | 0.215 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.127 |
CL | 2.203 |
T12 | 0.843 |
hERG | 0.258 |
Ames | 0.58 |
ROA | 0.66 |
SkinSen | 0.742 |
Carcinogencity | 0.454 |
EI | 0.078 |
Respiratory | 0.352 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.859715 |