Compounds

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1084553

Name:
(S)-4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-
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Mol. Formula:
C26H21F3N2O3

M.W.:
466.46

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1084552

Name:
(S)-4-(1-(1-(3-chloro-5-(trifluoromethoxy)benzyl)-
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Mol. Formula:
C26H20ClF3N2O4

M.W.:
516.90

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
80.56

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1084551

Name:
(S)-4-(1-(1-(3-(trifluoromethyl)benzyl)-1H-indole-
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Mol. Formula:
C26H21F3N2O3

M.W.:
466.46

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1085041

Name:
(S)-4-(1-(1-(3-chlorobenzyl)-5-fluoro-1H-indole-7-
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Mol. Formula:
C25H20ClFN2O3

M.W.:
450.90

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1085040

Name:
(S)-4-(1-(5-chloro-1-(3-chlorobenzyl)-1H-indole-7-
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Mol. Formula:
C25H20Cl2N2O3

M.W.:
467.35

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1083746

Name:
(S)-4-(1-(1-(3-chlorobenzyl)-3-methyl-1H-indole-7-
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Mol. Formula:
C26H23ClN2O3

M.W.:
446.93

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1083445

Name:
(S)-4-(1-(3-chloro-1-(3-chlorobenzyl)-1H-indole-7-
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Mol. Formula:
C25H20Cl2N2O3

M.W.:
467.35

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1084047

Name:
(S)-4-(1-(1-(3-chlorobenzyl)-2-methyl-1H-indole-7-
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Mol. Formula:
C26H23ClN2O3

M.W.:
446.93

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1085081

Name:
(S)-4-(1-(1-(3-chlorobenzyl)-1H-indole-7-carboxami
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Mol. Formula:
C25H21ClN2O3

M.W.:
432.91

19 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
71.33

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3695945

Name:
US8969394, 26

Mol. Formula:
C25H22F3N5OS

M.W.:
497.55

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3695944

Name:
US8969394, 25

Mol. Formula:
C22H19Cl2NO3S

M.W.:
448.37

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3695943

Name:
US8969394, 21

Mol. Formula:
C22H16Cl2F3NO3S

M.W.:
502.34

Type:
Small molecule

AlogP:
6.85

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3695942

Name:
US8969394, 19

Mol. Formula:
C30H27F3N2O4S2

M.W.:
600.68

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
92.34

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3639948

Name:
US8969394, 18

Cas Number:
1006036-89-0

Mol. Formula:
C25H25F3N2O4S2

M.W.:
538.61

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
92.34

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3695941

Name:
US8969394, 10

Mol. Formula:
C21H14Cl3NO4S

M.W.:
482.77

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3695940

Name:
US8969394, 9

Mol. Formula:
C21H16Cl3NO4S

M.W.:
484.79

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
86.63

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3695939

Name:
US8969394, 8

Mol. Formula:
C26H24Cl3NO5S

M.W.:
568.91

Type:
Small molecule

AlogP:
7.53

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3695938

Name:
US8969394, 6

Mol. Formula:
C22H18Cl3NO3S

M.W.:
482.82

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3695937

Name:
US8969394, 5

Mol. Formula:
C21H16Br2ClNO3S

M.W.:
557.69