Compounds

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ALA3265225
Name:
(4S)-2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-(2-ca
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Mol. Formula:
C23H23N7O14S
M.W.:
653.54

9 activity values

6 unique targets
Type:
Small molecule
AlogP:
-2.80
Polar Surface Area:
311.60
HBA:
17
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
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ALA3265224
Name:
(4R)-2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-(2-ca
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Mol. Formula:
C23H23N7O14S
M.W.:
653.54

9 activity values

6 unique targets
Type:
Small molecule
AlogP:
-2.80
Polar Surface Area:
311.60
HBA:
17
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA3265223
Name:
(4S)-2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-(2-ca
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Mol. Formula:
C25H26N6O12S
M.W.:
634.58

9 activity values

6 unique targets
Type:
Small molecule
AlogP:
-0.41
Polar Surface Area:
258.37
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3265222
Name:
(4R)-2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-(2-ca
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Mol. Formula:
C25H26N6O12S
M.W.:
634.58

9 activity values

6 unique targets
Type:
Small molecule
AlogP:
-0.41
Polar Surface Area:
258.37
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3265221
Name:
2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-((1,5-dihy
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Mol. Formula:
C19H18N6O11S
M.W.:
538.45

21 activity values

6 unique targets
Type:
Small molecule
AlogP:
-1.87
Polar Surface Area:
245.20
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3265220
Name:
2-((S)-4-((Z)-2-(2-aminothiazol-4-yl)-2-(2-carboxy
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Mol. Formula:
C17H19N5O10S
M.W.:
485.43

34 activity values

7 unique targets
Type:
Small molecule
AlogP:
-1.31
Polar Surface Area:
220.04
HBA:
12
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE