Glycyl-D-tryptophan

Introduction

CAS No. :	50632-89-8	MDL No. :	MFCD00065278
Formula :	C13H15N3O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AJHCSUXXECOXOY-LLVKDONJSA-N
M.W :	261.28	Pubchem ID :	7091279
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.23
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	69.97
TPSA :	108.21 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) :	-9.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.53
Log Po/w (XLOGP3) :	-2.61
Log Po/w (WLOGP) :	0.24
Log Po/w (MLOGP) :	-0.21
Log Po/w (SILICOS-IT) :	1.05
Consensus Log Po/w :	-0.2

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.23
Solubility :	444.0 mg/ml ; 1.7 mol/l
Class :	Highly soluble
Log S (Ali) :	0.88
Solubility :	2000.0 mg/ml ; 7.67 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-3.16
Solubility :	0.181 mg/ml ; 0.000692 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.4

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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