L-SelenoMethionine

Introduction

CAS No. :	3211-76-5	MDL No. :	MFCD00037210
Formula :	C5H11NO2Se	Boiling Point :	-
Linear Structure Formula :	OHCOCHNH2(CH2)2SeCH3	InChI Key :	RJFAYQIBOAGBLC-BYPYZUCNSA-N
M.W :	196.11	Pubchem ID :	105024
Synonyms :	SEM;SeMet	Chemical Name :	L-SelenoMethionine

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.38
TPSA :	63.32 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) :	-8.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.11
Log Po/w (WLOGP) :	-0.04
Log Po/w (MLOGP) :	-2.2
Log Po/w (SILICOS-IT) :	-1.24
Consensus Log Po/w :	-1.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.54
Solubility :	676.0 mg/ml ; 3.45 mol/l
Class :	Highly soluble
Log S (Ali) :	1.31
Solubility :	3990.0 mg/ml ; 20.4 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	75.1 mg/ml ; 0.383 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.01

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P501-P273-P260-P270-P271-P264-P280-P391-P314-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P301+P310+P330-P304+P340+P311-P403+P233-P405	UN#:	3283
Hazard Statements:	H301+H331-H315-H319-H373-H410	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine