Chemoinformaics analysis of tri-l-serine
Molecular Weight | 279.249 | nRot | 8 |
Heavy Atom Molecular Weight | 262.113 | nRig | 3 |
Exact Molecular Weight | 279.107 | nRing | 0 |
Solubility: LogS | -0.343 | nHRing | 0 |
Solubility: LogP | -3.417 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 35.2795 |
nHD | 7 | BPOL | 20.2285 |
QED | 0.123 |
Synth | 4.84 |
Natural Product Likeliness | 0.816 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.783 |
HIA | 0.702 |
CACO-2 | -6.109 |
MDCK | 0.00910214 |
BBB | 0.029 |
PPB | 0.380926 |
VDSS | 0.719 |
FU | 0.688943 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.012 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.047 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.049 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.07 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.006 |
CL | 1.804 |
T12 | 0.791 |
hERG | 0.018 |
Ames | 0.064 |
ROA | 0.001 |
SkinSen | 0.725 |
Carcinogencity | 0.002 |
EI | 0.013 |
Respiratory | 0.824 |
NR-Aromatase | 0.008 |
Antiviral | No |
Prediction | 0.703908 |