N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide

Introduction

CAS No. :	112913-94-7	MDL No. :	MFCD16619692
Formula :	C14H19FN2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	IYDYAXXGLUZOJN-UHFFFAOYSA-N
M.W :	266.31	Pubchem ID :	10683176
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	73.8
TPSA :	41.57 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.31 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.66
Log Po/w (XLOGP3) :	0.87
Log Po/w (WLOGP) :	1.05
Log Po/w (MLOGP) :	1.26
Log Po/w (SILICOS-IT) :	2.2
Consensus Log Po/w :	1.61

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.94
Solubility :	3.04 mg/ml ; 0.0114 mol/l
Class :	Very soluble
Log S (Ali) :	-1.33
Solubility :	12.5 mg/ml ; 0.0471 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.83
Solubility :	0.0393 mg/ml ; 0.000148 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.42

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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