Compounds

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ALA2312403
Name:
(2S,4R)-4-(3-Hydroxy(methyl)amino-3-oxopropyl)glut
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Mol. Formula:
C9H16N2O6
M.W.:
248.24

22 activity values

16 unique targets
Type:
Small molecule
AlogP:
-0.88
Polar Surface Area:
141.16
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
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ALA313747
Name:
N*1*-(5-{3-[4-(3-Amino-propylamino)-butylamino]-pr
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Cas Number:
112163-33-4

Mol. Formula:
C27H47N7O6
M.W.:
565.72

20 activity values

14 unique targets
Type:
Small molecule
AlogP:
-0.90
Polar Surface Area:
220.93
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
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ALA19489
Name:
(2S,4S)-4-Carboxy-pyrrolidinium-2-carboxylic acid
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Cas Number:
64927-38-4

Mol. Formula:
C6H9NO4
M.W.:
159.14

7 activity values

4 unique targets
Type:
Small molecule
AlogP:
-0.87
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
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ALA19206
Name:
(2R,4S)-4-Carboxy-pyrrolidinium-2-carboxylic acid
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Cas Number:
130830-77-2

Mol. Formula:
C6H9NO4
M.W.:
159.14

11 activity values

7 unique targets
Type:
Small molecule
AlogP:
-0.87
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE