Chemoinformaics analysis of 3-(4-HYDROXYPHENYL)PROPANAMIDE


Molecular Weight 165.192 nRot 3
Heavy Atom Molecular Weight 154.104 nRig 7
Exact Molecular Weight 165.079 nRing 1
Solubility: LogS -1.298 nHRing 0
Solubility: LogP 0.187 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 25.0687
nHD 2 BPOL 11.3333
QED 0.696
Synth 1.626
Natural Product Likeliness 0.161
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.98
HIA 0.009
CACO-2 -4.523
MDCK 0.0000155
BBB 0.961
PPB 0.431726
VDSS 0.629
FU 0.54539
CYP1A2-inh 0.343
CYP1A2-sub 0.128
CYP2c19-inh 0.109
CYP2c19-sub 0.062
CYP2c9-inh 0.043
CYP2c9-sub 0.697
CYP2d6-inh 0.139
CYP2d6-sub 0.781
CYP3a4-inh 0.032
CYP3a4-sub 0.196
CL 14.641
T12 0.567
hERG 0.078
Ames 0.183
ROA 0.088
SkinSen 0.559
Carcinogencity 0.689
EI 0.715
Respiratory 0.021
NR-Aromatase 0.004
Antiviral No
Prediction 0.887453