Chemoinformaics analysis of N-(1-HYDROXY-3-PHENYLPROPAN-2-YL)BENZAMIDE


Molecular Weight 255.317 nRot 5
Heavy Atom Molecular Weight 238.181 nRig 26
Exact Molecular Weight 255.126 nRing 2
Solubility: LogS -6.088 nHRing 0
Solubility: LogP 7.556 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 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 40.7595
nHD 2 BPOL 18.4925
QED 0.158
Synth 5.647
Natural Product Likeliness 2.456
NR-PPAR-gamma 0.023
Lipinski Rejected
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 1
Pgp-sub 0.965
HIA 0.342
CACO-2 -5.08
MDCK 0.0000216
BBB 0.232
PPB 0.97568
VDSS 3.114
FU 0.0299817
CYP1A2-inh 0.009
CYP1A2-sub 0.724
CYP2c19-inh 0.234
CYP2c19-sub 0.962
CYP2c9-inh 0.225
CYP2c9-sub 0.091
CYP2d6-inh 0.065
CYP2d6-sub 0.926
CYP3a4-inh 0.401
CYP3a4-sub 0.943
CL 1.011
T12 0.07
hERG 0.429
Ames 0.402
ROA 0.416
SkinSen 0.961
Carcinogencity 0.351
EI 0.092
Respiratory 0.819
NR-Aromatase 0.96
Antiviral No
Prediction 0.675865