Compounds

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3274098

Name:
1,1'-(dibenzo[b,d]thiophene-2,8-diyl)bis(4-(4-meth
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Mol. Formula:
C32H42N2O2S

M.W.:
518.77

Type:
Small molecule

AlogP:
7.44

Polar Surface Area:
40.62

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3274097

Name:
1,1'-(dibenzo[b,d]thiophene-2,8-diyl)bis(4-(piperi
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Mol. Formula:
C30H38N2O2S

M.W.:
490.71

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
40.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3273731

Name:
1,1'-(dibenzo[b,d]thiophene-2,7-diyl)bis(4-(piperi
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Mol. Formula:
C30H38N2O2S

M.W.:
490.71

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
40.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3273730

Name:
1,1'-(dibenzo[b,d]thiophene-2,8-diyl)bis(4-(dimeth
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Mol. Formula:
C24H31ClN2O2S

M.W.:
447.04

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
40.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3273729

Name:
1,1'-(dibenzo[b,d]thiophene-2,8-diyl)bis(2-(dimeth
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Cas Number:
35556-06-0

Mol. Formula:
C20H23ClN2O2S

M.W.:
390.94

16 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
40.62

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3273728

Name:
3,3'-(dibenzo[b,d]thiophene-2,8-diylbis(oxy))bis(N
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Mol. Formula:
C24H35ClN2O2S

M.W.:
451.08

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3273727

Name:
2,8-bis(3-(piperidin-1-yl)propoxy)dibenzo[b,d]thio
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Mol. Formula:
C28H39ClN2O2S

M.W.:
503.15

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3273726

Name:
N,N'-(3,3'-(dibenzo[b,d]thiophene-2,8-diylbis(oxy)
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Mol. Formula:
C34H55ClN2O2S

M.W.:
591.35

Type:
Small molecule

AlogP:
9.40

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3273725

Name:
2,8-bis(2-(piperidin-1-yl)ethoxy)dibenzo[b,d]thiop
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Mol. Formula:
C26H35ClN2O2S

M.W.:
475.10

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3273724

Name:
N,N'-(2,2'-(dibenzo[b,d]thiophene-2,8-diylbis(oxy)
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Mol. Formula:
C28H43ClN2O2S

M.W.:
507.18

Type:
Small molecule

AlogP:
7.05

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3273723

Name:
2,2'-(dibenzo[b,d]thiophene-2,8-diylbis(oxy))bis(N
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Mol. Formula:
C28H38N2O6S

M.W.:
530.69

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3273722

Name:
2,2'-(dibenzo[b,d]thiophene-2,8-diylbis(oxy))bis(N
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Mol. Formula:
C20H27ClN2O2S

M.W.:
394.97

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
24.94

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3273721

Name:
7-(6-(dimethylamino)-2,2-dimethylhexyl)2-(5-(dimet
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Mol. Formula:
C33H49ClN2O4S

M.W.:
605.29

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3273720

Name:
Bis(3-(piperidin-1-yl)propyl)dibenzo[b,d]thiophene
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Mol. Formula:
C30H39ClN2O4S

M.W.:
559.17

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3273719

Name:
Bis(3-(diisopentylamino)propyl)dibenzo[b,d]thiophe
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Mol. Formula:
C40H63ClN2O4S

M.W.:
703.47

Type:
Small molecule

AlogP:
9.94

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3273718

Name:
Bis(3-(dibutylamino)propyl)dibenzo[b,d]thiophene-2
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Mol. Formula:
C36H55ClN2O4S

M.W.:
647.37

Type:
Small molecule

AlogP:
8.95

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3273717

Name:
bis(3-(diethylamino)propyl)dibenzo[b,d]thiophene-2
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Cas Number:
58243-31-5

Mol. Formula:
C28H39ClN2O4S

M.W.:
535.15

2 activity values

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3273716

Name:
Bis(2-(diethylamino)ethyl)dibenzo[b,d]thiophene-2,
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Mol. Formula:
C26H35ClN2O4S

M.W.:
507.10

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
59.08

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3273715

Name:
1,1'-(dibenzo[b,d]furan-2,8-diyl)bis(4-morpholinob
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Mol. Formula:
C28H34N2O5

M.W.:
478.59