L-Lysine monohydrocholoride

Introduction

CAS No. :	657-27-2	MDL No. :	MFCD00064564
Formula :	C6H15ClN2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BVHLGVCQOALMSV-JEDNCBNOSA-N
M.W :	182.65	Pubchem ID :	69568
Synonyms :		Chemical Name :	L-Lysine monohydrocholoride

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	45.11
TPSA :	89.34 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) :	-9.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.25
Log Po/w (WLOGP) :	0.33
Log Po/w (MLOGP) :	-2.32
Log Po/w (SILICOS-IT) :	-0.72
Consensus Log Po/w :	-0.99

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.78
Solubility :	1090.0 mg/ml ; 5.96 mol/l
Class :	Highly soluble
Log S (Ali) :	0.91
Solubility :	1480.0 mg/ml ; 8.08 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.18
Solubility :	120.0 mg/ml ; 0.658 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

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

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