Compounds

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ALA3527301
Name:
Bis(4-fluorobenzyl)disulfide
Mol. Formula:
C14H12F2S2
M.W.:
282.38
15 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
0.00
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
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ALA3526983
Name:
[(R)-2-amino-3-((2-(3,3-dinitroazetidin-1-yl)-2-oxoethyl)thio)propanoic aciShow More⌵
Mol. Formula:
C8H12N4O7S
M.W.:
308.27
9 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.78
Polar Surface Area:
169.91
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
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ALA3526982
Name:
[(S)-2-amino-5-(((R)-1-((carboxymethyl)amino)-3-((2-(3,3-dinitroazetidin-1-Show More⌵
Mol. Formula:
C15H22N6O11S
M.W.:
494.44
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
-3.31
Polar Surface Area:
265.41
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
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ALA3526801
Name:
[(S)-2-amino-5-(((R)-1-((carboxymethyl)amino)-3-((2-(3-(hydroxyimino)azetidShow More⌵
Mol. Formula:
C15H23N5O8S
M.W.:
433.44
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
-2.73
Polar Surface Area:
211.72
HBA:
9
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
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ALA3526730
Name:
[(S)-2-amino-5-(((R)-1-((carboxymethyl)amino)-3-((2-(3-nitroazetidin-1-yl)-Show More⌵
Mol. Formula:
C15H23N5O9S
M.W.:
449.44
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
-2.92
Polar Surface Area:
222.27
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3526570
Name:
(S)-4-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-(2-oxo-2-(3-oxoazetidin-1Show More⌵
Mol. Formula:
C15H22N4O8S
M.W.:
418.43
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
-2.99
Polar Surface Area:
196.20
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE