11-Phenyl-11,12-dihydroindolo[2,3-a]carbazole

Introduction

CAS No. :	1024598-06-8	MDL No. :	MFCD22581305
Formula :	C24H16N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	IENOQUQIVSMWGP-UHFFFAOYSA-N
M.W :	332.40	Pubchem ID :	59365871
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	26
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	110.14
TPSA :	20.72 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.4
Log Po/w (XLOGP3) :	6.46
Log Po/w (WLOGP) :	6.42
Log Po/w (MLOGP) :	5.02
Log Po/w (SILICOS-IT) :	5.58
Consensus Log Po/w :	5.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.64
Solubility :	0.0000753 mg/ml ; 0.000000227 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.69
Solubility :	0.0000679 mg/ml ; 0.000000204 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.18
Solubility :	0.000000218 mg/ml ; 0.0000000007 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.18

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

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