Compounds

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-methylbutanoyl)-N-((S)-1-fluoro-6-guaShow More⌵

Mol. Formula:
C24H34BrFN6O5

M.W.:
585.48

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-oxohexan-3-ylcarbamoyl)pyrrolidShow More⌵

Mol. Formula:
C26H37FN6O5

M.W.:
532.62

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)-N-((S)-1-fluoro-6-guanidiShow More⌵

Mol. Formula:
C25H34FN7O4

M.W.:
515.59

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-fluoro-6-guanidino-2-oxohShow More⌵

Mol. Formula:
C24H35FN6O4

M.W.:
490.58

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-oxohexan-3-yl)(methyl)carbShow More⌵

Mol. Formula:
C26H39FN6O5

M.W.:
534.63

4 activity values

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)-N-((S)-1-fluoro-6-guanidiShow More⌵

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-((S)-3-methyl-2-(methylaShow More⌵

Mol. Formula:
C18H33FN6O3

M.W.:
400.50

4 activity values

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

ALA4564313

Name:
benzyl (S)-1-((S)-1-((S)-2-((S)-1-guanidino-5-oxoheptan-4-ylcarbamoyl)pyrroShow More⌵

Mol. Formula:
C32H51N7O6

M.W.:
629.80

5 activity values

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
195.81

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4562380

Name:
(S)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)-1-((S)-3-methyl-2-(3-phenyShow More⌵

Mol. Formula:
C24H36FN7O4

M.W.:
505.60

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
169.51

HBA:
5

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4560183

Name:
benzyl (S)-1-((S)-2-((S)-1-fluoro-6-guanidino-2-oxohexan-3-ylcarbamoyl)pyrrShow More⌵

Mol. Formula:
C29H37FN6O5

M.W.:
568.65

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-methylbutanoyl)-N-((S)-1-fluoro-6-gShow More⌵

Mol. Formula:
C24H41FN6O4

M.W.:
496.63

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-((S)-2-(4-isopropylbenzaShow More⌵

Mol. Formula:
C27H41FN6O4

M.W.:
532.66

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

ALA4549870

Name:
4-bromo-N-((S)-1-cyclohexyl-2-((S)-1-((S)-1-fluoro-6-guanidino-2-oxohexan-3Show More⌵

Mol. Formula:
C25H36BrFN6O5

M.W.:
599.50

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

ALA4543670

Name:
benzyl (S)-1-((S)-2-((S)-1-fluoro-6-guanidino-2-oxohexan-3-ylcarbamoyl)pyrrShow More⌵

Mol. Formula:
C26H39FN6O5

M.W.:
534.63

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

ALA4540686

Name:
benzyl (S)-1-((S)-1-((S)-1-fluoro-6-guanidino-2-oxohexan-3-ylamino)-3-hydroShow More⌵

Mol. Formula:
C23H35FN6O6

M.W.:
510.57

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-((S)-2-(4-methoxybenzamiShow More⌵

Mol. Formula:
C25H37FN6O5

M.W.:
520.61

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)-N-((S)-1-fluoro-6-guanidiShow More⌵

Mol. Formula:
C23H32BrFN6O5

M.W.:
571.45

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

ALA4520743

Name:
benzyl (S)-1-((2S,4R)-2-((S)-1-fluoro-6-guanidino-2-oxohexan-3-ylcarbamoyl)Show More⌵

Mol. Formula:
C25H37FN6O6

M.W.:
536.61

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-guanidino-2-oxohexan-3-ylcarbamoShow More⌵

Mol. Formula:
C31H48FN7O6

M.W.:
633.77

5 activity values