Glycyl-L-methionine

Introduction

CAS No. :	554-94-9	MDL No. :	MFCD00065111
Formula :	C7H14N2O3S	Boiling Point :	-
Linear Structure Formula :	NH2CH2CONHCH(CH2CH2SCH3)COOH	InChI Key :	PFMUCCYYAAFKTH-YFKPBYRVSA-N
M.W :	206.26	Pubchem ID :	151282
Synonyms :		Chemical Name :	Glycyl-L-methionine

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	50.83
TPSA :	117.72 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) :	-9.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.84
Log Po/w (XLOGP3) :	-3.14
Log Po/w (WLOGP) :	-0.73
Log Po/w (MLOGP) :	-0.64
Log Po/w (SILICOS-IT) :	-0.43
Consensus Log Po/w :	-0.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.32
Solubility :	4320.0 mg/ml ; 21.0 mol/l
Class :	Highly soluble
Log S (Ali) :	1.24
Solubility :	3540.0 mg/ml ; 17.2 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.66
Solubility :	44.8 mg/ml ; 0.217 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.5

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501	UN#:	N/A
Hazard Statements:	H302-H312-H332	Packing Group:	N/A
GHS Pictogram:

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