Chemoinformaics analysis of 5-Phenyl-2-oxazolidinone


Molecular Weight 163.176 nRot 1
Heavy Atom Molecular Weight 154.104 nRig 12
Exact Molecular Weight 163.063 nRing 2
Solubility: LogS -1.983 nHRing 1
Solubility: LogP 1.43 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 1
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 9 No. of Saturated Hetero Cycles 1
No. of Carbon atom 9 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 23.7351
nHD 1 BPOL 12.2029
QED 0.68
Synth 2.64
Natural Product Likeliness 1.01
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.017
HIA 0.06
CACO-2 -4.409
MDCK 0.0000769
BBB 0.963
PPB 0.710019
VDSS 1.137
FU 0.234931
CYP1A2-inh 0.743
CYP1A2-sub 0.158
CYP2c19-inh 0.486
CYP2c19-sub 0.776
CYP2c9-inh 0.132
CYP2c9-sub 0.786
CYP2d6-inh 0.023
CYP2d6-sub 0.841
CYP3a4-inh 0.038
CYP3a4-sub 0.305
CL 6.033
T12 0.746
hERG 0.044
Ames 0.786
ROA 0.176
SkinSen 0.425
Carcinogencity 0.305
EI 0.084
Respiratory 0.065
NR-Aromatase 0.004
Antiviral No
Prediction 0.871