Dichloro(DPPE)digold(I)

Introduction

CAS No. :	18024-34-5	MDL No. :	MFCD15144867
Formula :	C26H26Au2Cl2P2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VYRCUTQUNKAXBM-UHFFFAOYSA-L
M.W :	865.27	Pubchem ID :	12624729
Synonyms :

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.08
Num. rotatable bonds :	9
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	139.46
TPSA :	27.18 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.48
Log Po/w (WLOGP) :	-0.74
Log Po/w (MLOGP) :	7.09
Log Po/w (SILICOS-IT) :	6.39
Consensus Log Po/w :	4.04

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-9.87
Solubility :	0.000000118 mg/ml ; 0.0000000001 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.88
Solubility :	0.0000113 mg/ml ; 0.0000000131 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-12.88
Solubility :	0.0000000001 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	5.42

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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