Fmoc-N-Me-Ser(tBu)-OH

Introduction

CAS No. :	197632-77-2	MDL No. :	MFCD02094430
Formula :	C23H27NO5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PQSAXALAXPNFMG-FQEVSTJZSA-N
M.W :	397.46	Pubchem ID :	7010370
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.39
Num. rotatable bonds :	9
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	110.42
TPSA :	76.07 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.2
Log Po/w (XLOGP3) :	3.71
Log Po/w (WLOGP) :	4.14
Log Po/w (MLOGP) :	2.62
Log Po/w (SILICOS-IT) :	3.32
Consensus Log Po/w :	3.4

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.35
Solubility :	0.0176 mg/ml ; 0.0000443 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.0
Solubility :	0.00399 mg/ml ; 0.00001 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.47
Solubility :	0.00133 mg/ml ; 0.00000335 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.36

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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