Imidazolidine-2,4,5-trione

Introduction

CAS No. :	120-89-8	MDL No. :	MFCD00014493
Formula :	C3H2N2O3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZFLIKDUSUDBGCD-UHFFFAOYSA-N
M.W :	114.06	Pubchem ID :	67126
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	28.84
TPSA :	75.27 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.58
Log Po/w (XLOGP3) :	-1.72
Log Po/w (WLOGP) :	-2.41
Log Po/w (MLOGP) :	-2.31
Log Po/w (SILICOS-IT) :	-0.19
Consensus Log Po/w :	-1.44

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.54
Solubility :	392.0 mg/ml ; 3.44 mol/l
Class :	Highly soluble
Log S (Ali) :	0.65
Solubility :	513.0 mg/ml ; 4.5 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	43.1 mg/ml ; 0.378 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.17

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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