Chemoinformaics analysis of (p-ethoxyphenyl)-
Molecular Weight | 228.247 | nRot | 3 |
Heavy Atom Molecular Weight | 216.151 | nRig | 14 |
Exact Molecular Weight | 228.079 | nRing | 2 |
Solubility: LogS | -4.229 | nHRing | 0 |
Solubility: LogP | 2.54 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | 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 | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 33.7875 |
nHD | 0 | BPOL | 15.5105 |
QED | 0.745 |
Synth | 2.102 |
Natural Product Likeliness | 0.493 |
NR-PPAR-gamma | 0.441 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.651 |
Pgp-sub | 0 |
HIA | 0.004 |
CACO-2 | -4.61 |
MDCK | 0.0000176 |
BBB | 0.033 |
PPB | 0.976948 |
VDSS | 1.304 |
FU | 0.0141115 |
CYP1A2-inh | 0.927 |
CYP1A2-sub | 0.642 |
CYP2c19-inh | 0.785 |
CYP2c19-sub | 0.267 |
CYP2c9-inh | 0.705 |
CYP2c9-sub | 0.794 |
CYP2d6-inh | 0.062 |
CYP2d6-sub | 0.537 |
CYP3a4-inh | 0.036 |
CYP3a4-sub | 0.243 |
CL | 3.432 |
T12 | 0.797 |
hERG | 0.069 |
Ames | 0.383 |
ROA | 0.811 |
SkinSen | 0.919 |
Carcinogencity | 0.779 |
EI | 0.799 |
Respiratory | 0.953 |
NR-Aromatase | 0.431 |
Antiviral | No |
Prediction | 0.623433 |