4-Glycidyloxycarbazole

Introduction

CAS No. :	51997-51-4	MDL No. :	MFCD03411884
Formula :	C15H13NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SVWKIGRDISDRLO-UHFFFAOYSA-N
M.W :	239.27	Pubchem ID :	5020710
Synonyms :		Chemical Name :	4-Glycidyloxycarbazole

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	13
Fraction Csp3 :	0.2
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	70.88
TPSA :	37.55 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.2
Log Po/w (XLOGP3) :	3.53
Log Po/w (WLOGP) :	3.1
Log Po/w (MLOGP) :	2.08
Log Po/w (SILICOS-IT) :	4.02
Consensus Log Po/w :	2.99

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.88
Solubility :	0.0313 mg/ml ; 0.000131 mol/l
Class :	Soluble
Log S (Ali) :	-4.0
Solubility :	0.0238 mg/ml ; 0.0000994 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.17
Solubility :	0.00161 mg/ml ; 0.00000673 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.45

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P201-P202-P261-P264-P272-P280-P302+P352-P305+P351+P338-P308+P313-P333+P313-P337+P313-P363-P405-P501	UN#:	N/A
Hazard Statements:	H317-H319-H341	Packing Group:	N/A
GHS Pictogram:

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