H-D-Lys-OH.diHCl

Introduction

CAS No. :	10303-72-7	MDL No. :	MFCD28000370
Formula :	C6H16Cl2N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JBBURJFZIMRPCZ-ZJIMSODOSA-N
M.W :	219.11	Pubchem ID :	88655180
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
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 :	52.07
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) :	-8.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-1.45
Log Po/w (WLOGP) :	1.13
Log Po/w (MLOGP) :	-1.99
Log Po/w (SILICOS-IT) :	-0.72
Consensus Log Po/w :	-0.61

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.05
Solubility :	243.0 mg/ml ; 1.11 mol/l
Class :	Highly soluble
Log S (Ali) :	0.08
Solubility :	262.0 mg/ml ; 1.19 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.18
Solubility :	144.0 mg/ml ; 0.658 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.92

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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