Compounds

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
128.98

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4176634

Name:
N-(2-aminophenyl)-3-[3-chloro-4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyShow More⌵

Mol. Formula:
C29H29ClF3N3O5S

M.W.:
624.08

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
119.75

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4172123

Name:
N-(2-aminophenyl)-3-[2-(cyclohexylamino)phenyl]sulfonyl-8-azaspiro[4.5]decaShow More⌵

Mol. Formula:
C28H38N4O3S

M.W.:
510.70

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
113.32

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4171893

Name:
N-(2-aminophenyl)-3-[4-[4-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiShow More⌵

Mol. Formula:
C30H34N4O5S

M.W.:
562.69

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
139.62

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4170018

Name:
N-(2-amino-5-fluoro-phenyl)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonShow More⌵

Mol. Formula:
C29H29F4N3O5S

M.W.:
607.63

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
119.75

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4168773

Name:
N-(2-aminophenyl)-3-(3-chloro-4-methoxy-phenyl)sulfonyl-8-azaspiro[4.5]decaShow More⌵

Mol. Formula:
C23H28ClN3O4S

M.W.:
478.01

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
110.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4166598

Name:
N-[2-amino-5-(2-thienyl)phenyl]-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]suShow More⌵

Mol. Formula:
C33H32F3N3O5S2

M.W.:
671.76

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.39

Polar Surface Area:
119.75

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4164020

Name:
N-[2-amino-5-(5-methyl-2-furyl)phenyl]-3-[4-[4-(trifluoromethoxy)phenoxy]phShow More⌵

Mol. Formula:
C34H34F3N3O6S

M.W.:
669.72

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
132.89

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4162091

Name:
N-(2-amino-5-phenyl-phenyl)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonShow More⌵

Mol. Formula:
C35H34F3N3O5S

M.W.:
665.73

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.33

Polar Surface Area:
119.75

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4161525

Name:
N-(2-aminophenyl)-3-[4-(cyclohexylamino)phenyl]sulfonyl-8-azaspiro[4.5]decaShow More⌵

Mol. Formula:
C28H38N4O3S

M.W.:
510.70

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
113.32

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4105625

Name:
4-{[5-(2-{[(4-Fluoro-3-methoxyphenyl)methyl]carbamoyl}-eth-1-yn-1-yl)-2,4-dShow More⌵

Mol. Formula:
C25H23FN4O6

M.W.:
494.48

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
142.52

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4103533

Name:
3-(1-{[4-(Dimethylsulfamoyl)phenyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyriShow More⌵

Mol. Formula:
C24H23FN4O6S

M.W.:
514.54

Type:
Small molecule

AlogP:
0.65

Polar Surface Area:
130.57

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4101280

Name:
Methyl 4-{[5-(2-{[(4-Fluoro-3-methoxyphenyl)methyl]-carbamoyl}eth-1-yn-1-ylShow More⌵

Mol. Formula:
C24H20FN3O6

M.W.:
465.44

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
119.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4100290

Name:
Methyl (2S)-2-[(4-{[5-(2-{[(4-Fluoro-3-methoxyphenyl)-methyl]carbamoyl}eth-Show More⌵

Mol. Formula:
C27H25FN4O7

M.W.:
536.52

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
148.59

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4099345

Name:
(2R)-2-[(4-{[5-(2-{[(4-Fluoro-3-methoxyphenyl)methyl]-carbamoyl}eth-1-yn-1-Show More⌵

Mol. Formula:
C26H23FN4O7

M.W.:
522.49

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
159.59

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4098213

Name:
3-(1-{[4-(tert-Butylsulfamoyl)phenyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyShow More⌵

Mol. Formula:
C26H27FN4O6S

M.W.:
542.59

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
139.36

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4097812

Name:
4-{[5-(2-{[(4-Fluoro-3-methoxyphenyl)methyl]carbamoyl}-eth-1-yn-1-yl)-2,4-dShow More⌵

Mol. Formula:
C25H23FN4O5

M.W.:
478.48

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
113.50

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4096462

Name:
(S)-5-amino-4-((S)-4-carboxy-2-((R)-2-((3-(3'-chlorobiphenyl-4-yl)isoxazol-Show More⌵

Mol. Formula:
C30H32ClN5O10

M.W.:
658.06

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
251.25

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4095780

Name:
3-{2,4-Dioxo-1-[(4-sulfamoylphenyl)methyl]-1,2,3,4-tetrahydropyrimidin-5-ylShow More⌵

Mol. Formula:
C22H19FN4O6S

M.W.:
486.48

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
153.35

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4093542

Name:
N-Cyclopropyl-4-{[5-(2-{[(4-fluoro-3-methoxyphenyl)-methyl]carbamoyl}eth-1-Show More⌵

Mol. Formula:
C26H23FN4O5

M.W.:
490.49