9,9-Diphenyl-9,10-dihydroacridine

Introduction

CAS No. :	20474-15-1	MDL No. :	MFCD28127357
Formula :	C25H19N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HWTHOPMRUCFPBX-UHFFFAOYSA-N
M.W :	333.43	Pubchem ID :	13293432
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.04
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	110.79
TPSA :	12.03 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.26
Log Po/w (XLOGP3) :	6.59
Log Po/w (WLOGP) :	5.75
Log Po/w (MLOGP) :	5.56
Log Po/w (SILICOS-IT) :	5.91
Consensus Log Po/w :	5.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.61
Solubility :	0.0000818 mg/ml ; 0.000000245 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.64
Solubility :	0.000076 mg/ml ; 0.000000228 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.23
Solubility :	0.0000000196 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.44

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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