10-Aminodecan-1-ol

Introduction

CAS No. :	23160-46-5	MDL No. :	MFCD02094313
Formula :	C10H23NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SWVSKCPPMNGBGL-UHFFFAOYSA-N
M.W :	173.30	Pubchem ID :	4465355
Synonyms :		Chemical Name :	10-Aminodecan-1-ol

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	9
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	54.05
TPSA :	46.25 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) :	-5.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.6
Log Po/w (XLOGP3) :	2.39
Log Po/w (WLOGP) :	2.06
Log Po/w (MLOGP) :	1.91
Log Po/w (SILICOS-IT) :	2.24
Consensus Log Po/w :	2.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.83
Solubility :	2.59 mg/ml ; 0.0149 mol/l
Class :	Very soluble
Log S (Ali) :	-3.0
Solubility :	0.172 mg/ml ; 0.000994 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.99
Solubility :	0.177 mg/ml ; 0.00102 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.54

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

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