Chemoinformaics analysis of Copper(I) Phenoxide
Molecular Weight | 157.659 | nRot | 0 |
Heavy Atom Molecular Weight | 151.611 | nRig | 6 |
Exact Molecular Weight | 156.971 | nRing | 1 |
Solubility: LogS | -0.079 | nHRing | 0 |
Solubility: LogP | 1.447 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 1 | APOL | 21.0228 |
nHD | 1 | BPOL | 6.01924 |
QED | 0.515 |
Synth | 1.177 |
Natural Product Likeliness | 0.417 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.004 |
HIA | 0.008 |
CACO-2 | -4.248 |
MDCK | 0.0000273 |
BBB | 0.131 |
PPB | 0.515472 |
VDSS | 2.509 |
FU | 0.30817 |
CYP1A2-inh | 0.787 |
CYP1A2-sub | 0.308 |
CYP2c19-inh | 0.191 |
CYP2c19-sub | 0.516 |
CYP2c9-inh | 0.032 |
CYP2c9-sub | 0.418 |
CYP2d6-inh | 0.091 |
CYP2d6-sub | 0.508 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.232 |
CL | 14.317 |
T12 | 0.905 |
hERG | 0.024 |
Ames | 0.056 |
ROA | 0.852 |
SkinSen | 0.801 |
Carcinogencity | 0.468 |
EI | 0.995 |
Respiratory | 0.527 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.573154 |