Compounds

ALA5271903

Name:
1-benzoyl-2-butyl-1H-indole-3-carboxylic acid

Mol. Formula:
C20H19NO3

M.W.:
321.38

Type:
---

AlogP:
4.37

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5271484

Name:
1-methanesulfonyl-2-phenyl-1H-indole-3-carboxylic acid

Mol. Formula:
C16H13NO4S

M.W.:
315.35

Type:
---

AlogP:
2.81

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5271135

Name:
1-(4-methylbenzenesulfonyl)-2-phenyl-1H-indole-3-carboxylic acid

Mol. Formula:
C22H17NO4S

M.W.:
391.45

Type:
---

AlogP:
4.55

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5282200

Name:
2-(hydroxymethyl)-1-(4-methylbenzenesulfonyl)-1H-indole-3-carboxylic acid

Mol. Formula:
C17H15NO5S

M.W.:
345.38

Type:
---

AlogP:
2.38

Polar Surface Area:
96.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5276125

Name:
1-benzoyl-2-[(benzyloxy)methyl]-1H-indole-3-carboxylic acid

Mol. Formula:
C24H19NO4

M.W.:
385.42

Type:
---

AlogP:
4.74

Polar Surface Area:
68.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5275739

Name:
2-butyl-1-(4-methylbenzenesulfonyl)-1H-indole-3-carboxylic acid

Mol. Formula:
C20H21NO4S

M.W.:
371.46

Type:
---

AlogP:
4.23

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5273768

Name:
2-[(benzyloxy)methyl]-1-[4-(chlorosulfonyl)phenyl]-1H-indole-3-carboxylic aShow More⌵

Mol. Formula:
C23H18ClNO5S

M.W.:
455.92

Type:
---

AlogP:
4.97

Polar Surface Area:
85.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5272962

Name:
1-benzoyl-2-phenyl-1H-indole-3-carboxylic acid

Mol. Formula:
C22H15NO3

M.W.:
341.37

Type:
---

AlogP:
4.70

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5283862

Name:
1-benzoyl-2-(hydroxymethyl)-1H-indole-3-carboxylic acid

Mol. Formula:
C17H13NO4

M.W.:
295.29

Type:
---

AlogP:
2.52

Polar Surface Area:
79.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5289070

Name:
2-(hydroxymethyl)-1-methanesulfonyl-1H-indole-3-carboxylic acid

Mol. Formula:
C11H11NO5S

M.W.:
269.28

Type:
---

AlogP:
0.64

Polar Surface Area:
96.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5287876

Name:
2-butyl-1-methanesulfonyl-1H-indole-3-carboxylic acid

Mol. Formula:
C14H17NO4S

M.W.:
295.36

Type:
---

AlogP:
2.49

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5277518

Name:
2-[(benzyloxy)methyl]-1-methanesulfonyl-1H-indole-3-carboxylic acid

Mol. Formula:
C18H17NO5S

M.W.:
359.40

Type:
---

AlogP:
2.86

Polar Surface Area:
85.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5196244

Name:
Butyl ((4'-((2-benzyl-1H-benzo[d]imidazol-1-yl)methyl)-5-propyl-[1,1'-bipheShow More⌵

Mol. Formula:
C35H37N3O4S

M.W.:
595.77

2 activity values

2 unique targets

Type:
---

AlogP:
7.51

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5208437

Name:
Butyl ((4'-((2-cyclohexyl-1H-benzo[d]imidazol-1-yl)methyl)-5-propyl-[1,1'-bShow More⌵

Mol. Formula:
C34H41N3O4S

M.W.:
587.79

2 activity values

2 unique targets

Type:
---

AlogP:
7.97

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5207511

Name:
4,4,4-trifluorobutyl ((4'-((2-(tert-butyl)-1H-benzo[d]imidazol-1-yl)methyl)Show More⌵

Mol. Formula:
C32H36F3N3O4S

M.W.:
615.72

5 activity values

3 unique targets

Type:
---

AlogP:
7.76

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5205769

Name:
Butyl ((4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)-5-propyl-[1,1'-biphenShow More⌵

Mol. Formula:
C32H39N3O4S

M.W.:
561.75

2 activity values

2 unique targets

Type:
---

AlogP:
7.26

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5203983

Name:
(1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazoShow More⌵

Mol. Formula:
C41H35ClN6O10

M.W.:
807.22

1 activity values

1 unique targets

Type:
---

AlogP:
6.80

Polar Surface Area:
236.01

HBA:
15

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5202149

Name:
4,4,4-trifluorobutyl ((4'-((2-(tert-butyl)-1H-benzo[d]imidazol-1-yl)methyl)Show More⌵

Mol. Formula:
C32H34F5N3O4S

M.W.:
651.70

5 activity values

3 unique targets

Type:
---

AlogP:
8.04

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5201369

Name:
Butyl ((4'-((2-(tert-butyl)-1H-benzo[d]imidazol-1-yl)methyl)-3',5'-difluoroShow More⌵

Mol. Formula:
C32H37F2N3O4S

M.W.:
597.73

2 activity values

2 unique targets

Type:
---

AlogP:
7.49

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5200734

Name:
Butyl ((4'-((2-cyclobutyl-1H-benzo[d]imidazol-1-yl)methyl)-5-propyl-[1,1'-bShow More⌵

Mol. Formula:
C32H37N3O4S

M.W.:
559.73

2 activity values

2 unique targets

Type:
---

AlogP:
7.19

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS