6,6'-(9H-Fluorene-9,9-diyl)bis(naphthalen-2-ol)

Introduction

CAS No. :	934557-66-1	MDL No. :	MFCD24038938
Formula :	C33H22O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DYOPVXMHYSXHNG-UHFFFAOYSA-N
M.W :	450.53	Pubchem ID :	59283803
Synonyms :

Physicochemical Properties

Num. heavy atoms :	35
Num. arom. heavy atoms :	32
Fraction Csp3 :	0.03
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	142.8
TPSA :	40.46 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) :	-3.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.66
Log Po/w (XLOGP3) :	8.46
Log Po/w (WLOGP) :	7.77
Log Po/w (MLOGP) :	5.84
Log Po/w (SILICOS-IT) :	7.65
Consensus Log Po/w :	6.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-8.51
Solubility :	0.0000014 mg/ml ; 0.0000000031 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.18
Solubility :	0.000000298 mg/ml ; 0.0000000007 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-12.28
Solubility :	0.0000000002 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.56

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

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