Sulfacarbamide

Introduction

CAS No. :	547-44-4	MDL No. :	MFCD00025437
Formula :	C7H9N3O3S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WVAKABMNNSMCDK-UHFFFAOYSA-N
M.W :	215.23	Pubchem ID :	11033
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	3.0
Molar Refractivity :	50.04
TPSA :	123.66 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) :	-8.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.03
Log Po/w (XLOGP3) :	-1.53
Log Po/w (WLOGP) :	0.71
Log Po/w (MLOGP) :	-0.86
Log Po/w (SILICOS-IT) :	-1.6
Consensus Log Po/w :	-0.66

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.33
Solubility :	101.0 mg/ml ; 0.468 mol/l
Class :	Very soluble
Log S (Ali) :	-0.56
Solubility :	59.2 mg/ml ; 0.275 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.61
Solubility :	5.26 mg/ml ; 0.0244 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.03

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H317	Packing Group:	N/A
GHS Pictogram:

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