H-Gly-Pro-OH

Introduction

CAS No. :	704-15-4	MDL No. :
Formula :	C7H12N2O3	Boiling Point :	-
Linear Structure Formula :	NH2CH2C(O)NC3H6CHCO2H	InChI Key :	KZNQNBZMBZJQJO-YFKPBYRVSA-N
M.W :	172.18	Pubchem ID :	3013625
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.14
TPSA :	83.63 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) :	-9.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	-3.11
Log Po/w (WLOGP) :	-1.36
Log Po/w (MLOGP) :	-1.03
Log Po/w (SILICOS-IT) :	-0.91
Consensus Log Po/w :	-1.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.25
Solubility :	3060.0 mg/ml ; 17.8 mol/l
Class :	Highly soluble
Log S (Ali) :	1.92
Solubility :	14300.0 mg/ml ; 83.1 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.54
Solubility :	598.0 mg/ml ; 3.48 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.89

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

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