(S)-2-Hydroxy-N-methyl-2-phenylacetamide

Introduction

CAS No. :	65645-88-7	MDL No. :	MFCD20484260
Formula :	C9H11NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MXAUJGXTIIVWRS-QMMMGPOBSA-N
M.W :	165.19	Pubchem ID :	12281461
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.19
TPSA :	49.33 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) :	-7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.36
Log Po/w (XLOGP3) :	0.37
Log Po/w (WLOGP) :	0.14
Log Po/w (MLOGP) :	0.7
Log Po/w (SILICOS-IT) :	0.93
Consensus Log Po/w :	0.7

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.27
Solubility :	8.89 mg/ml ; 0.0538 mol/l
Class :	Very soluble
Log S (Ali) :	-0.97
Solubility :	17.7 mg/ml ; 0.107 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.25
Solubility :	0.929 mg/ml ; 0.00562 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.49

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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