Alternatived Products of [ 5959-95-5 ]
Product Details of [ 5959-95-5 ]
CAS No. : 5959-95-5
MDL No. : MFCD00065607
Formula :
C5 H10 N2 O3
Boiling Point :
-
Linear Structure Formula : -
InChI Key : ZDXPYRJPNDTMRX-GSVOUGTGSA-N
M.W :
146.14
Pubchem ID : 145815
Synonyms :
D-Gln
Chemical Name : (R)-2,5-Diamino-5-oxopentanoic acid
Calculated chemistry of [ 5959-95-5 ]
Physicochemical Properties
Num. heavy atoms :
10
Num. arom. heavy atoms :
0
Fraction Csp3 :
0.6
Num. rotatable bonds :
4
Num. H-bond acceptors :
4.0
Num. H-bond donors :
3.0
Molar Refractivity :
33.54
TPSA :
106.41 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) :
-9.43 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.3
Log Po/w (XLOGP3) :
-3.15
Log Po/w (WLOGP) :
-1.34
Log Po/w (MLOGP) :
-3.58
Log Po/w (SILICOS-IT) :
-1.42
Consensus Log Po/w :
-1.84
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
1.5
Solubility :
4650.0 mg/ml ; 31.8 mol/l
Class :
Highly soluble
Log S (Ali) :
1.48
Solubility :
4440.0 mg/ml ; 30.4 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
0.68
Solubility :
698.0 mg/ml ; 4.78 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.76