174649-09-3 (R)-(3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl methanesulfonate

Introduction

CAS No. :	174649-09-3	MDL No. :	MFCD18070719
Formula :	C15H19FN2O6S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UCVIKCGVGWBTTI-GFCCVEGCSA-N
M.W :	374.39	Pubchem ID :	10643120
Synonyms :

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.53
Num. rotatable bonds :	5
Num. H-bond acceptors :	7.0
Num. H-bond donors :	0.0
Molar Refractivity :	93.3
TPSA :	93.76 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.59
Log Po/w (XLOGP3) :	0.8
Log Po/w (WLOGP) :	1.7
Log Po/w (MLOGP) :	1.09
Log Po/w (SILICOS-IT) :	0.5
Consensus Log Po/w :	1.34

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.51
Solubility :	1.15 mg/ml ; 0.00307 mol/l
Class :	Soluble
Log S (Ali) :	-2.35
Solubility :	1.67 mg/ml ; 0.00446 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.83
Solubility :	0.555 mg/ml ; 0.00148 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.69

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

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