Compounds

ALA4549870

Name:
4-bromo-N-((S)-1-cyclohexyl-2-((S)-1-((S)-1-fluoro
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Mol. Formula:
C25H36BrFN6O5

M.W.:
599.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
186.50

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4560183

Name:
benzyl (S)-1-((S)-2-((S)-1-fluoro-6-guanidino-2-ox
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Mol. Formula:
C29H37FN6O5

M.W.:
568.65

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4559654

Name:
(S)-1-((S)-2-(cyclohexanecarboxamido)-3-methylbuta
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Mol. Formula:
C24H41FN6O4

M.W.:
496.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
157.48

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4557368

Name:
(S)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)-1
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Mol. Formula:
C27H41FN6O4

M.W.:
532.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
157.48

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4540686

Name:
benzyl (S)-1-((S)-1-((S)-1-fluoro-6-guanidino-2-ox
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Mol. Formula:
C23H35FN6O6

M.W.:
510.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
195.73

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4533042

Name:
(S)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)-1
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Mol. Formula:
C25H37FN6O5

M.W.:
520.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4527787

Name:
(S)-3-((S)-2-(4-bromobenzamido)-3-methylbutanoyl)-
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Mol. Formula:
C23H32BrFN6O5

M.W.:
571.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.68

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4514312

Name:
benzyl (S)-1-((S)-2-((S)-1-fluoro-6-guanidino-2-ox
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Mol. Formula:
C26H39FN6O5

M.W.:
534.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4474318

Name:
benzyl (S)-1-((2S,4S)-2-((S)-1-fluoro-6-guanidino-
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Mol. Formula:
C25H37FN6O6

M.W.:
536.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.19

Polar Surface Area:
186.94

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4543670

Name:
benzyl (S)-1-((S)-2-((S)-1-fluoro-6-guanidino-2-ox
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Mol. Formula:
C26H39FN6O5

M.W.:
534.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4520743

Name:
benzyl (S)-1-((2S,4R)-2-((S)-1-fluoro-6-guanidino-
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Mol. Formula:
C25H37FN6O6

M.W.:
536.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.19

Polar Surface Area:
186.94

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4517467

Name:
benzyl (S)-1-((S)-1-((S)-2-((S)-1-fluoro-6-guanidi
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Mol. Formula:
C31H48FN7O6

M.W.:
633.77

5 activity values

3 unique targets

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
195.81

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4586273

Name:
(S)-4-((S)-2-(4-bromobenzamido)-3-methylbutanoyl)-
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Mol. Formula:
C24H34BrFN6O5

M.W.:
585.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4586042

Name:
(2S,4R)-1-((S)-2-(4-bromobenzamido)-3-methylbutano
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Mol. Formula:
C24H34BrFN6O5

M.W.:
585.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.45

Polar Surface Area:
177.71

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4585300

Name:
benzyl 1-((S)-2-((S)-1-fluoro-6-guanidino-2-oxohex
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Mol. Formula:
C26H37FN6O5

M.W.:
532.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
166.71

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4584688

Name:
(S)-1-((S)-2-(4-cyanobenzamido)-3-methylbutanoyl)-
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Mol. Formula:
C25H34FN7O4

M.W.:
515.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
181.27

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4578878

Name:
(S)-1-((S)-2-benzamido-3-methylbutanoyl)-N-((S)-1-
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Mol. Formula:
C24H35FN6O4

M.W.:
490.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
157.48

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4575136

Name:
benzyl (S)-1-((S)-2-(((S)-1-fluoro-6-guanidino-2-o
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Mol. Formula:
C26H39FN6O5

M.W.:
534.63

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
157.92

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4566164

Name:
(S)-1-((S)-2-(4-bromobenzamido)-3-methylbutanoyl)-
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Mol. Formula:
C25H36BrFN6O4

M.W.:
583.50

29 activity values

11 unique targets

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
157.48

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4565072

Name:
(S)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)-1
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Mol. Formula:
C18H33FN6O3

M.W.:
400.50

4 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.49

Polar Surface Area:
140.41

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS