Hydroxyflutamide

Introduction

CAS No. :	52806-53-8	MDL No. :	MFCD00563126
Formula :	C11H11F3N2O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YPQLFJODEKMJEF-UHFFFAOYSA-N
M.W :	292.21	Pubchem ID :	91649
Synonyms :	HFT;Hydroxyniphtholide;2-HOF;2-hydroxy Flutamide;SCH-16423

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	5
Num. H-bond acceptors :	7.0
Num. H-bond donors :	2.0
Molar Refractivity :	65.39
TPSA :	95.15 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.42
Log Po/w (XLOGP3) :	2.7
Log Po/w (WLOGP) :	3.28
Log Po/w (MLOGP) :	1.22
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	1.76

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.24
Solubility :	0.166 mg/ml ; 0.000569 mol/l
Class :	Soluble
Log S (Ali) :	-4.35
Solubility :	0.013 mg/ml ; 0.0000446 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.9
Solubility :	0.364 mg/ml ; 0.00124 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.1

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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