Chemoinformaics analysis of N-[2-(4-Hydroxyphenyl)ethyl]benzamide


Molecular Weight 241.29 nRot 4
Heavy Atom Molecular Weight 226.17 nRig 22
Exact Molecular Weight 241.11 nRing 2
Solubility: LogS -4.142 nHRing 0
Solubility: LogP 4.065 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 2 No. of Arom Bond 12
nHA 2 APOL 37.7559
nHD 2 BPOL 16.4861
QED 0.646
Synth 2.738
Natural Product Likeliness 1.9
NR-PPAR-gamma 0.955
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.011
Pgp-sub 0.002
HIA 0.057
CACO-2 -4.668
MDCK 0.0000226
BBB 0.249
PPB 0.981568
VDSS 0.486
FU 0.0102558
CYP1A2-inh 0.972
CYP1A2-sub 0.79
CYP2c19-inh 0.875
CYP2c19-sub 0.355
CYP2c9-inh 0.857
CYP2c9-sub 0.935
CYP2d6-inh 0.888
CYP2d6-sub 0.756
CYP3a4-inh 0.668
CYP3a4-sub 0.223
CL 2.308
T12 0.176
hERG 0.047
Ames 0.886
ROA 0.842
SkinSen 0.511
Carcinogencity 0.952
EI 0.903
Respiratory 0.908
NR-Aromatase 0.717
Antiviral No
Prediction 0.701962