Chemoinformaics analysis of acid-phosphatase
Molecular Weight | 208.213 | nRot | 4 |
Heavy Atom Molecular Weight | 196.117 | nRig | 8 |
Exact Molecular Weight | 208.074 | nRing | 1 |
Solubility: LogS | -2.423 | nHRing | 0 |
Solubility: LogP | 2.07 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 29.5795 |
nHD | 1 | BPOL | 16.3785 |
QED | 0.766 |
Synth | 1.687 |
Natural Product Likeliness | 0.416 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.067 |
HIA | 0.051 |
CACO-2 | -4.682 |
MDCK | 0.0000147 |
BBB | 0.697 |
PPB | 0.848406 |
VDSS | 0.392 |
FU | 0.093992 |
CYP1A2-inh | 0.075 |
CYP1A2-sub | 0.839 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.103 |
CYP2c9-inh | 0.047 |
CYP2c9-sub | 0.517 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.289 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.114 |
CL | 7.717 |
T12 | 0.918 |
hERG | 0.026 |
Ames | 0.044 |
ROA | 0.142 |
SkinSen | 0.946 |
Carcinogencity | 0.479 |
EI | 0.937 |
Respiratory | 0.793 |
NR-Aromatase | 0.07 |
Antiviral | No |
Prediction | 0.670835 |