Compounds

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1083704

Name:
(4-(dibenzo[b,d]furan-4-yl)-3-methoxyphenyl)((1S,5
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Mol. Formula:
C30H31NO3

M.W.:
453.58

Type:
Small molecule

AlogP:
7.30

Polar Surface Area:
42.68

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1083703

Name:
(4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R
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Mol. Formula:
C26H29NO2S

M.W.:
419.59

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1084801

Name:
(4-(benzo[b]thiophen-2-yl)-3-methoxyphenyl)((1S,5R
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Mol. Formula:
C26H29NO2S

M.W.:
419.59

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1085548

Name:
(3-methoxy-4-(2-phenylbenzofuran-3-yl)phenyl)((1S,
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Mol. Formula:
C32H33NO3

M.W.:
479.62

Type:
Small molecule

AlogP:
7.82

Polar Surface Area:
42.68

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1085301

Name:
(4-(benzofuran-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,
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Mol. Formula:
C26H29NO3

M.W.:
403.52

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
42.68

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1085300

Name:
(2-methoxy-4'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-
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Mol. Formula:
C30H33NO3

M.W.:
455.60

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1085299

Name:
(2-methoxy-4'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t
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Mol. Formula:
C25H31NO2

M.W.:
377.53

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1083444

Name:
(4'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5
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Mol. Formula:
C25H30ClNO2

M.W.:
411.97

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1083443

Name:
(4'-chloro-2-methoxybiphenyl-4-yl)((1S,5R)-1,3,3-t
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Mol. Formula:
C24H28ClNO2

M.W.:
397.95

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1084326

Name:
(2''-Methoxy-[1,1'3',1'']terphenyl-4''-yl)-((1S,5R
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Mol. Formula:
C30H33NO2

M.W.:
439.60

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1084325

Name:
N-(2'-methoxy-4'-((1S,5R)-1,3,3-trimethyl-6-azabic
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Mol. Formula:
C26H32N2O3

M.W.:
420.55

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1086294

Name:
2'-methoxy-N-methyl-4'-((1S,5R)-1,3,3-trimethyl-6-
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Mol. Formula:
C26H32N2O3

M.W.:
420.55

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1086293

Name:
(2-methoxy-3'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t
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Mol. Formula:
C25H31NO2

M.W.:
377.53

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1086053

Name:
(5'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5
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Mol. Formula:
C25H30ClNO2

M.W.:
411.97

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1086052

Name:
(2''-Methoxy-[1,1',2',1'']terphenyl-4''-yl)-((1S,5
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Mol. Formula:
C30H33NO2

M.W.:
439.60

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1083732

Name:
(2-methoxy-2'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-
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Mol. Formula:
C30H33NO3

M.W.:
455.60

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1083731

Name:
(2-methoxy-2',6'-dimethylbiphenyl-4-yl)((1S,5R)-1,
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Mol. Formula:
C26H33NO2

M.W.:
391.56

Type:
Small molecule

AlogP:
6.02

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1083730

Name:
(2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1R,5S
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Mol. Formula:
C25H30ClNO2

M.W.:
411.97