Chemoinformaics analysis of Amino Acids
Molecular Weight | 1163.44 | nRot | 25 |
Heavy Atom Molecular Weight | 1068.69 | nRig | 11 |
Exact Molecular Weight | 1162.65 | nRing | 3 |
Solubility: LogS | -1.764 | nHRing | 1 |
Solubility: LogP | -1.234 | No. of Aliphatic Rings | 0 |
Acid Count | 8 | No. of Aromatic Rings | 3 |
Base Count | 9 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 174 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 80 | No. of Aromatic Carbocycles | 2 |
nHetero | 28 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 94 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 52 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 10 | No. of Arom Atom | 15 |
No. of Oxygen atom | 17 | No. of Arom Bond | 16 |
nHA | 19 | APOL | 177.053 |
nHD | 19 | BPOL | 99.1455 |
QED | 0.701 |
Synth | 2.301 |
Natural Product Likeliness | 0.392 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.101 |
HIA | 0.01 |
CACO-2 | -5.166 |
MDCK | 0.000018 |
BBB | 0.765 |
PPB | 0.336124 |
VDSS | 0.356 |
FU | 0.708301 |
CYP1A2-inh | 0.126 |
CYP1A2-sub | 0.079 |
CYP2c19-inh | 0.068 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.659 |
CYP2d6-inh | 0.089 |
CYP2d6-sub | 0.549 |
CYP3a4-inh | 0.019 |
CYP3a4-sub | 0.058 |
CL | 11.879 |
T12 | 0.873 |
hERG | 0.084 |
Ames | 0.011 |
ROA | 0.871 |
SkinSen | 0.372 |
Carcinogencity | 0.111 |
EI | 0.072 |
Respiratory | 0.243 |
NR-Aromatase | 0.048 |
Antiviral | Yes |
Prediction | 0.636747 |