Oxamide

Introduction

CAS No. :	471-46-5	MDL No. :	MFCD00008007
Formula :	C2H4N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YIKSCQDJHCMVMK-UHFFFAOYSA-N
M.W :	88.07	Pubchem ID :	10113
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	17.54
TPSA :	86.18 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.27
Log Po/w (XLOGP3) :	-1.55
Log Po/w (WLOGP) :	-2.04
Log Po/w (MLOGP) :	-2.33
Log Po/w (SILICOS-IT) :	-1.45
Consensus Log Po/w :	-1.42

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.66
Solubility :	399.0 mg/ml ; 4.53 mol/l
Class :	Highly soluble
Log S (Ali) :	0.25
Solubility :	156.0 mg/ml ; 1.77 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	1.04
Solubility :	970.0 mg/ml ; 11.0 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	9
Precautionary Statements:	P260-P264-P273-P301+P312-P305+P351+P338-P314	UN#:	3077
Hazard Statements:	H302-H319-H372-H410	Packing Group:	Ⅲ
GHS Pictogram:

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