Dichloro(1,2-diaminocyclohexane)platinum(II)

Introduction

CAS No. :	52691-24-4	MDL No. :	MFCD00058826
Formula :	C6H14Cl2N2Pt	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	380.17	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	53.79
TPSA :	52.04 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.27
Log Po/w (WLOGP) :	0.83
Log Po/w (MLOGP) :	0.9
Log Po/w (SILICOS-IT) :	0.27
Consensus Log Po/w :	0.85

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.63
Solubility :	0.0897 mg/ml ; 0.000236 mol/l
Class :	Soluble
Log S (Ali) :	-3.0
Solubility :	0.381 mg/ml ; 0.001 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.04
Solubility :	0.347 mg/ml ; 0.000912 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.81

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P280	UN#:	2811
Hazard Statements:	H302-H312-H332-H350	Packing Group:	Ⅲ
GHS Pictogram:

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