Palmitamide

Introduction

CAS No. :	629-54-9	MDL No. :	MFCD00025534
Formula :	C16H33NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HSEMFIZWXHQJAE-UHFFFAOYSA-N
M.W :	255.44	Pubchem ID :	69421
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.94
Num. rotatable bonds :	14
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	81.93
TPSA :	43.09 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.87
Log Po/w (XLOGP3) :	6.52
Log Po/w (WLOGP) :	4.95
Log Po/w (MLOGP) :	3.79
Log Po/w (SILICOS-IT) :	5.01
Consensus Log Po/w :	4.83

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.61
Solubility :	0.00631 mg/ml ; 0.0000247 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.22
Solubility :	0.0000153 mg/ml ; 0.00000006 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-5.53
Solubility :	0.000757 mg/ml ; 0.00000296 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.12

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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