[Ru(bpz)3][PF6]2

Introduction

CAS No. :	80907-56-8	MDL No. :	MFCD27952557
Formula :	C24H18F12N12P2Ru	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	RRBHRYNFGGGCST-UHFFFAOYSA-N
M.W :	865.48	Pubchem ID :	15376884
Synonyms :

Physicochemical Properties

Num. heavy atoms :	51
Num. arom. heavy atoms :	36
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	18.0
Num. H-bond donors :	0.0
Molar Refractivity :	156.31
TPSA :	175.2 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	5.75
Log Po/w (WLOGP) :	-31.43
Log Po/w (MLOGP) :	-3.35
Log Po/w (SILICOS-IT) :	-6.36
Consensus Log Po/w :	-7.08

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	5.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-9.35
Solubility :	0.000000386 mg/ml ; 0.0000000004 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.2
Solubility :	0.00000055 mg/ml ; 0.0000000006 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-1.51
Solubility :	26.6 mg/ml ; 0.0308 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.22

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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