H-Leu-NH2.HCl

Introduction

CAS No. :	10466-61-2	MDL No. :	MFCD00013012
Formula :	C6H15ClN2O	Boiling Point :	-
Linear Structure Formula :	[(CH3)2CHCH2CH(NH3)CONH2]Cl	InChI Key :	VSPSRRBIXFUMOU-JEDNCBNOSA-N
M.W :	166.65	Pubchem ID :	2733199
Synonyms :	L-Leucinamide hydrochloride

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	43.54
TPSA :	69.11 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) :	-6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.91
Log Po/w (WLOGP) :	0.65
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	-0.39
Consensus Log Po/w :	0.3

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.25
Solubility :	9.4 mg/ml ; 0.0564 mol/l
Class :	Very soluble
Log S (Ali) :	-1.95
Solubility :	1.88 mg/ml ; 0.0113 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.35
Solubility :	74.4 mg/ml ; 0.447 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-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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