Compounds

Type:
---

AlogP:
7.33

Polar Surface Area:
235.79

HBA:
13

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5181179

Name:
(1-(10-(((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamShow More⌵

Mol. Formula:
C50H64N10O7S

M.W.:
949.19

9 activity values

4 unique targets

Type:
---

AlogP:
6.90

Polar Surface Area:
235.79

HBA:
13

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5093600

Name:
(2S,4R)-1-((S)-14-((4-((2-Aminophenyl)carbamoyl)phenyl)-amino)-2-(tert-butyShow More⌵

Mol. Formula:
C43H53N7O9S

M.W.:
844.00

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
223.54

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5091755

Name:
N1-(4-((2-Aminophenyl)carbamoyl)phenyl)-N10-((S)-1-((2S,4R)-4-hydroxy-2-((4Show More⌵

Mol. Formula:
C45H57N7O6S

M.W.:
824.06

Type:
Unknown

AlogP:
6.82

Polar Surface Area:
195.85

HBA:
9

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5091190

Name:
(2S,4R)-1-((S)-2-(2-((6-(2-((4-((2-Aminophenyl)carbamoyl)-phenyl)amino)-2-oShow More⌵

Mol. Formula:
C45H57N7O8S

M.W.:
856.06

5 activity values

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
214.31

HBA:
11

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5086099

Name:
(2S,4R)-1-((S)-2-(2-(2-(2-((4-((2-Aminophenyl)carbamoyl)-phenyl)amino)-2-oxShow More⌵

Mol. Formula:
C41H49N7O8S

M.W.:
799.95

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
214.31

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5085422

Name:
N1-(4-((2-Amino-5-(thiophen-2-yl)phenyl)carbamoyl)phenyl)-N9-((S)-1-((2S,4RShow More⌵

Mol. Formula:
C48H57N7O6S2

M.W.:
892.16

2 activity values

Type:
Unknown

AlogP:
8.16

Polar Surface Area:
195.85

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5084332

Name:
(2S,4R)-1-((S)-14-((4-((2-Amino-5-(thiophen-2-yl)phenyl)-carbamoyl)phenyl)aShow More⌵

Mol. Formula:
C47H55N7O9S2

M.W.:
926.13

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
223.54

HBA:
13

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5083841

Name:
N1-(4-((2-Aminophenyl)carbamoyl)phenyl)-N11-((S)-1-((2S,4R)-4-hydroxy-2-((4Show More⌵

Mol. Formula:
C46H59N7O6S

M.W.:
838.09

Type:
Unknown

AlogP:
7.21

Polar Surface Area:
195.85

HBA:
9

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5082910

Name:
N1-(4-(2-(((2S,4R)-1-((S)-2-Acetamido-3,3-dimethylbutanoyl)-4-hydroxypyrrolShow More⌵

Mol. Formula:
C47H60N8O8S

M.W.:
897.11

4 activity values

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
234.18

HBA:
11

HBD:
7

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5082841

Name:
(2S,4R)-1-((S)-2-(2-((9-(2-((4-((2-Amino-4-fluorophenyl)-carbamoyl)phenyl)aShow More⌵

Mol. Formula:
C48H62FN7O8S

M.W.:
916.13

5 activity values

Type:
Unknown

AlogP:
6.60

Polar Surface Area:
214.31

HBA:
11

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5081998

Name:
(2S,4R)-1-((S)-2-(4-(4-(4-((4-((2-Aminophenyl)carbamoyl)-phenyl)amino)-4-oxShow More⌵

Mol. Formula:
C47H61N9O6S

M.W.:
880.13

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
202.33

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5081102

Name:
N1-(4-((2-Aminophenyl)carbamoyl)phenyl)-N14-((S)-1-((2S,4R)-4-hydroxy-2-((4Show More⌵

Mol. Formula:
C49H65N7O6S

M.W.:
880.17

4 activity values

Type:
Unknown

AlogP:
8.38

Polar Surface Area:
195.85

HBA:
9

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5080755

Name:
(2S,4R)-N-(2-((12-((4-((2-Aminophenyl)carbamoyl)phenyl)-amino)-12-oxododecyShow More⌵

Mol. Formula:
C52H69N7O7S

M.W.:
936.23

13 activity values

4 unique targets

Type:
Unknown

AlogP:
8.78

Polar Surface Area:
205.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5080095

Name:
(2S,4R)-1-((S)-2-(2-((9-((4-((2-Aminophenyl)carbamoyl)phenyl)-amino)-9-oxonShow More⌵

Mol. Formula:
C45H57N7O7S

M.W.:
840.06

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
205.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5080047

Name:
N1-(4-((2-Amino-5-(thiophen-2-yl)phenyl)carbamoyl)phenyl)-N12-((S)-1-((2S,4Show More⌵

Mol. Formula:
C51H63N7O6S2

M.W.:
934.24

2 activity values

Type:
Unknown

AlogP:
9.33

Polar Surface Area:
195.85

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5079199

Name:
N1-(4-((2-Amino-4-fluorophenyl)carbamoyl)phenyl)-N9-((S)-1-((2S,4R)-4-hydroShow More⌵

Mol. Formula:
C44H54FN7O6S

M.W.:
828.02

3 activity values

Type:
Unknown

AlogP:
6.57

Polar Surface Area:
195.85

HBA:
9

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5077743

Name:
(2S,4R)-1-((S)-2-Acetamido-3,3-dimethylbutanoyl)-N-(2-((12-((4-((2-aminopheShow More⌵

Mol. Formula:
C49H65N7O7S

M.W.:
896.17

14 activity values

5 unique targets

Type:
Unknown

AlogP:
8.00

Polar Surface Area:
205.08

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5076622

Name:
N1-(4-((2-Aminophenyl)carbamoyl)phenyl)-N9-((S)-1-((2S,4R)-4-hydroxy-2-((4-Show More⌵

Mol. Formula:
C44H55N7O6S

M.W.:
810.03

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
195.85

HBA:
9

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5075185

Name:
N1-(4-((2-Aminophenyl)carbamoyl)phenyl)-N14-((S)-1-((2S,4S)-4-hydroxy-2-((4Show More⌵

Mol. Formula:
C45H57N7O10S

M.W.:
888.06