Chemoinformaics analysis of PHENYLALANINE
Molecular Weight | 165.192 | nRot | 3 |
Heavy Atom Molecular Weight | 154.104 | nRig | 7 |
Exact Molecular Weight | 165.079 | nRing | 1 |
Solubility: LogS | -1.627 | nHRing | 0 |
Solubility: LogP | -1.507 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | 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 | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 25.0687 |
nHD | 2 | BPOL | 11.3333 |
QED | 0.69 |
Synth | 1.882 |
Natural Product Likeliness | 0.476 |
NR-PPAR-gamma | 0.009 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.159 |
HIA | 0.016 |
CACO-2 | -5.579 |
MDCK | 0.00106742 |
BBB | 0.524 |
PPB | 0.310943 |
VDSS | 0.42 |
FU | 0.697417 |
CYP1A2-inh | 0.062 |
CYP1A2-sub | 0.049 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.09 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.169 |
CYP2d6-inh | 0.154 |
CYP2d6-sub | 0.322 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.099 |
CL | 13.104 |
T12 | 0.763 |
hERG | 0.093 |
Ames | 0.015 |
ROA | 0.693 |
SkinSen | 0.257 |
Carcinogencity | 0.05 |
EI | 0.127 |
Respiratory | 0.331 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.888453 |