Compounds

ALA1732679

Name:
SID99245734

Mol. Formula:
C22H22ClN3O4

M.W.:
427.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
78.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1715259

Name:
SID99245721

Mol. Formula:
C24H23NOS2

M.W.:
405.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.77

Polar Surface Area:
12.47

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1224422

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(morpholine-4-carbonylShow More⌵

Mol. Formula:
C25H26Cl2N2O8

M.W.:
553.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
123.63

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1224421

Name:
(S)-2-((4R,5R)-5-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-ylcarbamoyl)-1,3-dioxShow More⌵

Mol. Formula:
C35H36Cl2N4O7

M.W.:
695.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
141.01

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1224420

Name:
(S)-2-((4R,5R)-5-(1-benzyl-3-tert-butyl-1H-pyrazol-5-ylcarbamoyl)-1,3-dioxoShow More⌵

Mol. Formula:
C35H36Cl2N4O7

M.W.:
695.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
141.01

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1224419

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(3,5-dichloropyridin-4Show More⌵

Mol. Formula:
C26H21Cl4N3O7

M.W.:
629.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
136.08

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1224418

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2,6-dichlorophenylcarShow More⌵

Mol. Formula:
C27H22Cl4N2O7

M.W.:
628.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1224339

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2,6-difluorophenylcarShow More⌵

Mol. Formula:
C27H22Cl2F2N2O7

M.W.:
595.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1224338

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(5-methyl-1,3,4-thiadiShow More⌵

Mol. Formula:
C24H22Cl2N4O7S

M.W.:
581.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
148.97

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1224337

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(thiazol-2-ylcarbamoylShow More⌵

Mol. Formula:
C24H21Cl2N3O7S

M.W.:
566.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
136.08

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1224259

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2-(trifluoromethyl)phShow More⌵

Mol. Formula:
C28H23Cl2F3N2O7

M.W.:
627.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1224258

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(phenylcarbamoyl)-1,3-Show More⌵

Mol. Formula:
C27H24Cl2N2O7

M.W.:
559.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1224257

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2-methoxyphenylcarbamShow More⌵

Mol. Formula:
C28H26Cl2N2O8

M.W.:
589.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
132.42

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1224256

Name:
(S)-2-((4R,5R)-5-(4-chlorophenylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(Show More⌵

Mol. Formula:
C27H23Cl3N2O7

M.W.:
593.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1224187

Name:
(S)-2-((4R,5R)-5-(2-chlorophenylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(Show More⌵

Mol. Formula:
C27H23Cl3N2O7

M.W.:
593.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1224186

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(2-fluorophenylcarbamoShow More⌵

Mol. Formula:
C27H23Cl2FN2O7

M.W.:
577.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
123.19

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1224185

Name:
(S)-2-((4R,5R)-5-(benzo[d][1,3]dioxol-5-ylmethylcarbamoyl)-1,3-dioxolane-4-Show More⌵

Mol. Formula:
C29H26Cl2N2O9

M.W.:
617.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
141.65

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1224184

Name:
(S)-2-((4R,5R)-5-(2-(1H-indol-3-yl)ethylcarbamoyl)-1,3-dioxolane-4-carboxamShow More⌵

Mol. Formula:
C31H29Cl2N3O7

M.W.:
626.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
138.98

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1224183

Name:
(S)-3-(4-(2,6-dichlorobenzyloxy)phenyl)-2-((4R,5R)-5-(thiophen-2-ylmethylcaShow More⌵

Mol. Formula:
C26H24Cl2N2O7S

M.W.:
579.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
123.19

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1224117

Name:
(S)-2-((4R,5R)-5-(benzo[d]thiazol-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamidShow More⌵

Mol. Formula:
C28H23Cl2N3O7S

M.W.:
616.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
136.08

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS