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