Silver(I) ((4-Aminophenyl)sulfonyl)(pyrimidin-2-yl)amide

Introduction

CAS No. :	22199-08-2	MDL No. :	MFCD00072101
Formula :	C10H9AgN4O2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	357.14	Pubchem ID :	-
Synonyms :	AgSD	Chemical Name :	Silver(I) ((4-Aminophenyl)sulfonyl)(pyrimidin-2-yl)amide

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	63.13
TPSA :	94.32 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) :	-8.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.09
Log Po/w (WLOGP) :	2.54
Log Po/w (MLOGP) :	0.22
Log Po/w (SILICOS-IT) :	-0.26
Consensus Log Po/w :	0.48

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.29
Solubility :	1.82 mg/ml ; 0.00509 mol/l
Class :	Soluble
Log S (Ali) :	-1.44
Solubility :	13.0 mg/ml ; 0.0364 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.79
Solubility :	0.0575 mg/ml ; 0.000161 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.33

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

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