Chemoinformaics analysis of SERINE
Molecular Weight | 105.093 | nRot | 2 |
Heavy Atom Molecular Weight | 98.037 | nRig | 1 |
Exact Molecular Weight | 105.043 | nRing | 0 |
Solubility: LogS | -0.272 | nHRing | 0 |
Solubility: LogP | -2.366 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 13.1836 |
nHD | 3 | BPOL | 7.32045 |
QED | 0.275 |
Synth | 4.081 |
Natural Product Likeliness | 1.516 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.022 |
HIA | 0.039 |
CACO-2 | -5.211 |
MDCK | 0.0145698 |
BBB | 0.076 |
PPB | 0.280466 |
VDSS | 0.796 |
FU | 0.787959 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.063 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.107 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.061 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.14 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.063 |
CL | 2.891 |
T12 | 0.883 |
hERG | 0.037 |
Ames | 0.23 |
ROA | 0.013 |
SkinSen | 0.794 |
Carcinogencity | 0.022 |
EI | 0.05 |
Respiratory | 0.642 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.983917 |