Chemoinformaics analysis of 2,4-Imidazolidinedione


Molecular Weight 100.077 nRot 0
Heavy Atom Molecular Weight 96.045 nRig 6
Exact Molecular Weight 100.027 nRing 1
Solubility: LogS -1.166 nHRing 1
Solubility: LogP -0.892 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 11 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 7 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 4 No. of Saturated Hetero Cycles 1
No. of Carbon atom 3 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 11.4812
nHD 2 BPOL 6.88883
QED 0.407
Synth 3.482
Natural Product Likeliness -0.025
NR-PPAR-gamma 0.001
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.004
HIA 0.904
CACO-2 -5.411
MDCK 0.0000159
BBB 0.114
PPB 0.0704899
VDSS 0.611
FU 0.8735
CYP1A2-inh 0.014
CYP1A2-sub 0.971
CYP2c19-inh 0.033
CYP2c19-sub 0.053
CYP2c9-inh 0.01
CYP2c9-sub 0.229
CYP2d6-inh 0.006
CYP2d6-sub 0.052
CYP3a4-inh 0.006
CYP3a4-sub 0.127
CL 9.889
T12 0.929
hERG 0.021
Ames 0.025
ROA 0.184
SkinSen 0.177
Carcinogencity 0.269
EI 0.905
Respiratory 0.083
NR-Aromatase 0.003
Antiviral No
Prediction 0.973667