(SP-4-3)-Diammine[2-(hydroxy-κO)acetato(2-)-κO]platinum

Introduction

CAS No. :	95734-82-0	MDL No. :	MFCD00866374
Formula :	C2H8N2O3Pt	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	303.17	Pubchem ID :	-
Synonyms :	NSC 375101D;NSC 375101	Chemical Name :	(SP-4-3)-Diammine[2-(hydroxy-κO)acetato(2-)-κO]platinum

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	20.64
TPSA :	69.67 Ų

Pharmacokinetics

GI absorption :	High
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) :	-11.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-4.85
Log Po/w (WLOGP) :	-1.19
Log Po/w (MLOGP) :	-3.05
Log Po/w (SILICOS-IT) :	-0.81
Consensus Log Po/w :	-1.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.4
Solubility :	7650.0 mg/ml ; 25.2 mol/l
Class :	Highly soluble
Log S (Ali) :	4.02
Solubility :	3160000.0 mg/ml ; 10400.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	1.04
Solubility :	3360.0 mg/ml ; 11.1 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.46

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

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