6,12-Dihydroindeno[1,2-b]fluorene

Introduction

CAS No. :	486-52-2	MDL No. :	MFCD18206418
Formula :	C20H14	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QBBPWJMJLXOORS-UHFFFAOYSA-N
M.W :	254.33	Pubchem ID :	15559295
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.1
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	83.34
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.06
Log Po/w (XLOGP3) :	5.81
Log Po/w (WLOGP) :	4.83
Log Po/w (MLOGP) :	6.14
Log Po/w (SILICOS-IT) :	5.97
Consensus Log Po/w :	5.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.74
Solubility :	0.000459 mg/ml ; 0.00000181 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.58
Solubility :	0.000669 mg/ml ; 0.00000263 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.98
Solubility :	0.00000267 mg/ml ; 0.0000000105 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.51

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine