Fmoc-Gly-Gly-OH

Introduction

CAS No. :	35665-38-4	MDL No. :	MFCD00190880
Formula :	C19H18N2O5	Boiling Point :	-
Linear Structure Formula :	C12H8CHCH2OCONHCH2CONHCH2COOH	InChI Key :	FBKUOPULLUJMOC-UHFFFAOYSA-N
M.W :	354.36	Pubchem ID :	7019069
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.21
Num. rotatable bonds :	9
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	92.98
TPSA :	104.73 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	2.0
Log Po/w (WLOGP) :	1.73
Log Po/w (MLOGP) :	1.27
Log Po/w (SILICOS-IT) :	1.88
Consensus Log Po/w :	1.7

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-3.04
Solubility :	0.32 mg/ml ; 0.000903 mol/l
Class :	Soluble
Log S (Ali) :	-3.83
Solubility :	0.0529 mg/ml ; 0.000149 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.24
Solubility :	0.00203 mg/ml ; 0.00000571 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.45

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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