Compounds

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
171.88

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA364185

Name:
(S)-2-{4'-[(7-Methoxy-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylaminShow More⌵

Mol. Formula:
C27H26N2O7S

M.W.:
522.58

4 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
134.94

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA434902

Name:
(S)-3-Methyl-2-{4'-[([1,2,3]thiadiazole-4-carbonyl)-amino]-biphenyl-4-sulfoShow More⌵

Mol. Formula:
C20H20N4O5S2

M.W.:
460.54

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
138.35

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA191106

Name:
(S)-2-(4'-{[4-(1-Carboxy-ethoxy)-benzofuran-2-carbonyl]-amino}-biphenyl-4-sShow More⌵

Mol. Formula:
C29H28N2O9S

M.W.:
580.62

7 activity values

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
172.24

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA365923

Name:
(S)-3-Methyl-2-{4'-[(5-nitro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfoShow More⌵

Mol. Formula:
C26H23N3O8S

M.W.:
537.55

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
168.85

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA359770

Name:
(S)-2-{4'-[(4-Benzyloxy-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamShow More⌵

Mol. Formula:
C33H30N2O7S

M.W.:
598.68

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
134.94

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA362522

Name:
(S)-2-{4'-[(5-Acetylamino-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylShow More⌵

Mol. Formula:
C28H27N3O7S

M.W.:
549.61

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
154.81

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA187523

Name:
(S)-2-{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyShow More⌵

Mol. Formula:
C26H24N2O6S

M.W.:
492.55

27 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
125.71

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA365259

Name:
(S)-2-[4'-(3-Methoxy-benzoylamino)-biphenyl-4-sulfonylamino]-3-methyl-butyrShow More⌵

Mol. Formula:
C25H26N2O6S

M.W.:
482.56

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA362791

Name:
(S)-2-{4'-[(4-Methoxy-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylaminShow More⌵

Mol. Formula:
C27H26N2O7S

M.W.:
522.58

6 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
134.94

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA189700

Name:
(S)-2-{4'-[(5-Benzenesulfonylamino-benzofuran-2-carbonyl)-amino]-biphenyl-4Show More⌵

Mol. Formula:
C32H29N3O8S2

M.W.:
647.73

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
171.88

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA185933

Name:
(S)-2-{4'-[(5-Amino-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}Show More⌵

Mol. Formula:
C26H25N3O6S

M.W.:
507.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
151.73

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA189955

Name:
{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-acetic acid

Mol. Formula:
C23H18N2O6S

M.W.:
450.47

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
125.71

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA188888

Name:
(S)-2-{4'-[(5-Chloro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylaminoShow More⌵

Mol. Formula:
C26H23ClN2O6S

M.W.:
527.00

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
125.71

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA189666

Name:
(S)-2-{4'-[(1H-Indole-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methylShow More⌵

Mol. Formula:
C26H25N3O5S

M.W.:
491.57

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
128.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA188542

Name:
(S)-2-{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-succinaShow More⌵

Mol. Formula:
C25H21N3O7S

M.W.:
507.52

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
168.80

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA263750

Name:
(S)-2-{4'-[(5-Methoxy-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylaminShow More⌵

Mol. Formula:
C27H26N2O7S

M.W.:
522.58

4 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
134.94

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA188707

Name:
(S)-2-{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-(3H-iShow More⌵

Mol. Formula:
C27H22N4O6S

M.W.:
530.56

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
154.39

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA439668

Name:
(S)-2-{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-4-methyShow More⌵

Mol. Formula:
C27H26N2O6S

M.W.:
506.58

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
125.71

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA189250

Name:
(S)-2-{4'-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-hydroShow More⌵

Mol. Formula:
C24H20N2O7S

M.W.:
480.50