Guanosine, 5'-amino-5'-deoxy-

Introduction

CAS No. :	4099-84-7	MDL No. :	MFCD22124271
Formula :	C10H14N6O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	282.26	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.5
Num. rotatable bonds :	2
Num. H-bond acceptors :	7.0
Num. H-bond donors :	5.0
Molar Refractivity :	67.05
TPSA :	165.3 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-9.55 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.12
Log Po/w (XLOGP3) :	-2.15
Log Po/w (WLOGP) :	-3.04
Log Po/w (MLOGP) :	-1.95
Log Po/w (SILICOS-IT) :	-2.46
Consensus Log Po/w :	-1.94

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.44
Solubility :	103.0 mg/ml ; 0.366 mol/l
Class :	Very soluble
Log S (Ali) :	-0.79
Solubility :	45.6 mg/ml ; 0.162 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.29
Solubility :	550.0 mg/ml ; 1.95 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.9

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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