Compounds

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4217267

Name:
(13R,15S,12S)-12-(tert-butyl)-N-((1S,2R)-2-((cyclopropylsulfonyl)carbamoyl)Show More⌵

Mol. Formula:
C40H55N5O10S

M.W.:
797.97

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
181.91

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4217239

Name:
(S)-2-(2-(6-benzyl-5-chloro-3-(3-(1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-Show More⌵

Mol. Formula:
C41H42ClF4N7O8S

M.W.:
904.34

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
205.74

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4216640

Name:
NA

Mol. Formula:
C38H50N4O9S

M.W.:
738.90

11 activity values

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4216353

Name:
NA

Mol. Formula:
C41H56N4O9S

M.W.:
780.98

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4215939

Name:
tert-butyl(S)-1-((2S,4R)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyShow More⌵

Mol. Formula:
C39H52N4O9S

M.W.:
752.93

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4215698

Name:
NA

Mol. Formula:
C41H56N4O9S

M.W.:
780.98

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4213784

Name:
2-(2-(6-Benzyl-3-(3-(tert-butyl)-2-oxoimidazolidin-1-yl)-5-chloro-2-oxopyraShow More⌵

Mol. Formula:
C34H32ClF3N6O6S

M.W.:
745.18

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
150.78

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4213684

Name:
NA

Mol. Formula:
C42H58N4O9S

M.W.:
795.01

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4212654

Name:
1,1,1-trifluoro-2-methylpropan-2-yl(S)-1-((2S,4R)-2-((1S,2R)-2-(cyclopropylShow More⌵

Mol. Formula:
C38H49F3N4O9S

M.W.:
794.89

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4212349

Name:
tert-butyl(S)-1-((2S,4R)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyShow More⌵

Mol. Formula:
C37H50N4O9S

M.W.:
726.89

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4212267

Name:
(S)-2-(2-(5-chloro-6-(2-cyclohexylethyl)-3-(3-(1-(4,4-dimethyl-2,6-dioxopipShow More⌵

Mol. Formula:
C42H50ClF4N7O8S

M.W.:
924.41

5 activity values

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
205.74

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4211655

Name:
NA

Mol. Formula:
C37H48N4O9S

M.W.:
724.88

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4211385

Name:
NA

Mol. Formula:
C40H54N4O9S

M.W.:
766.96

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4211245

Name:
(13R,15S,12S)-12-(tert-butyl)-15-(((1S,2R)-2-((cyclopropylsulfonyl)carbamoyShow More⌵

Mol. Formula:
C41H55N5O12S

M.W.:
841.98

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
208.21

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4210795

Name:
NA

Mol. Formula:
C40H54N4O9S

M.W.:
766.96

27 activity values

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4210743

Name:
NA

Mol. Formula:
C42H58N4O9S

M.W.:
795.01

28 activity values

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4209552

Name:
NA

Mol. Formula:
C37H48N4O9S

M.W.:
724.88

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
169.44

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4208860

Name:
(S)-2-(2-(6-benzyl-5-chloro-3-(3-(3,3-dimethyl-1-(N-methylpyridine-3-sulfonShow More⌵

Mol. Formula:
C39H37ClF4N8O8S2

M.W.:
921.35

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
227.42

HBA:
11

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4207524

Name:
(13R,15S,12S)-12-(tert-butyl)-6-cyclopropyl-N-((1S,2R)-2-((cyclopropylsulfoShow More⌵

Mol. Formula:
C42H57N5O10S

M.W.:
824.01

9 activity values