Compounds

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
173.24

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4590398

Name:
(S)-N-((2S,3R)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-Show More⌵

Mol. Formula:
C31H43N7O6S

M.W.:
641.80

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
216.45

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4589564

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C33H49N5O6S2

M.W.:
675.92

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
169.58

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4581629

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C38H57N5O5S2

M.W.:
728.04

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
160.35

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4577205

Name:
(S)-N-((S)-4-cyclohexyl-1-((R)-2-methyloxiran-2-yl)-1-oxobutan-2-yl)-3-(4-mShow More⌵

Mol. Formula:
C32H48N4O7

M.W.:
600.76

13 activity values

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4570830

Name:
(S)-N-((S)-1-cyclohexyl-2-((R)-2-methyloxiran-2-yl)-2-oxoethyl)-3-(4-methoxShow More⌵

Mol. Formula:
C30H44N4O7

M.W.:
572.70

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4568958

Name:
N-((2S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-Show More⌵

Mol. Formula:
C36H53N5O5S2

M.W.:
699.98

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
160.35

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4565742

Name:
(2S)-2-((S)-3-(4-(aminomethyl)phenyl)-2-((S)-2-azido-3-phenylpropanamido)prShow More⌵

Mol. Formula:
C37H49N7O5

M.W.:
671.84

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
191.68

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4565730

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C29H43N5O5S2

M.W.:
605.83

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
160.35

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4550571

Name:
(S)-N-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2-yl)-2-((SShow More⌵

Mol. Formula:
C33H46FN7O5S

M.W.:
671.84

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
196.22

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4549724

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C36H47N5O5S

M.W.:
661.87

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
160.35

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4546121

Name:
(S)-N-(2-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2-ylaminShow More⌵

Mol. Formula:
C29H39N7O5S

M.W.:
597.74

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
196.22

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4545073

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C27H39N5O6S2

M.W.:
593.77

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
169.58

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4543211

Name:
(S)-N-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2-yl)-2-((SShow More⌵

Mol. Formula:
C35H50N8O6S

M.W.:
710.90

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
225.32

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4542603

Name:
(S)-N-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2-ylShow More⌵

Mol. Formula:
C31H40F3N7O5S

M.W.:
679.77

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
196.22

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4541019

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C33H49N5O5S2

M.W.:
659.92

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
160.35

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4539341

Name:
(S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-(4-(trifShow More⌵

Mol. Formula:
C32H45F3N4O7

M.W.:
654.73

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4539247

Name:
(S)-2-((S)-3-(4-(aminomethyl)phenyl)-2-((S)-2-azido-3-phenylpropanamido)proShow More⌵

Mol. Formula:
C37H51N7O5

M.W.:
673.86

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
191.68

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4533222

Name:
(S)-N-((S)-3-(4,4-difluorocyclohexyl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropShow More⌵

Mol. Formula:
C31H44F2N4O7

M.W.:
622.71

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4532362

Name:
N-((S)-1-((S)-1-((S)-1-(4-(aminomethyl)phenyl)-4-(methylsulfonyl)but-3-en-2Show More⌵

Mol. Formula:
C26H36N6O5S

M.W.:
544.68