2-Amino-2-deoxyuridine

Introduction

CAS No. :	26889-39-4	MDL No. :	MFCD01317284
Formula :	C9H13N3O5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	243.22	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	4.0
Molar Refractivity :	55.81
TPSA :	130.57 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) :	-9.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.65
Log Po/w (XLOGP3) :	-2.24
Log Po/w (WLOGP) :	-3.21
Log Po/w (MLOGP) :	-2.64
Log Po/w (SILICOS-IT) :	-1.63
Consensus Log Po/w :	-1.81

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.07
Solubility :	209.0 mg/ml ; 0.859 mol/l
Class :	Very soluble
Log S (Ali) :	0.03
Solubility :	261.0 mg/ml ; 1.07 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.53
Solubility :	820.0 mg/ml ; 3.37 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.78

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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