H-D-Orn-OH.HCl

Introduction

CAS No. :	16682-12-5	MDL No. :
Formula :	C5H13ClN2O2	Boiling Point :	-
Linear Structure Formula :	HOOCCH(NH2)CH2CH2CH2NH2·HCl	InChI Key :	GGTYBZJRPHEQDG-PGMHMLKASA-N
M.W :	168.62	Pubchem ID :	443122
Synonyms :	(R)-Ornithine hydrochloride;D-Ornithine (hydrochloride)	Chemical Name :	H-D-Orn-OH.HCl

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	40.3
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) :	-9.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-3.61
Log Po/w (WLOGP) :	-0.06
Log Po/w (MLOGP) :	-2.67
Log Po/w (SILICOS-IT) :	-1.09
Consensus Log Po/w :	-1.49

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.65
Solubility :	7580.0 mg/ml ; 45.0 mol/l
Class :	Highly soluble
Log S (Ali) :	2.32
Solubility :	35100.0 mg/ml ; 208.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.24
Solubility :	290.0 mg/ml ; 1.72 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.72

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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