Compounds

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
43.38

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4757227

Name:
2-methyl-N-(1-(thieno[3,2-b]pyridin-6-yl)ethyl)pyr
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Mol. Formula:
C15H15N3S

M.W.:
269.37

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4779122

Name:
(1,1-Dioxo-hexahydro-1lambda(6)-thiopyran-3-yl)-(2
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Mol. Formula:
C11H16N2O2S

M.W.:
240.33

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4752632

Name:
N-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethyl)-2
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Mol. Formula:
C16H18N2O2

M.W.:
270.33

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
43.38

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4751827

Name:
2-methyl-N-(1-(methylsulfonyl)propan-2-yl)pyridin-
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Mol. Formula:
C10H16N2O2S

M.W.:
228.32

Type:
Unknown

AlogP:
1.24

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4791892

Name:
2-methyl-N-(2-(methylsulfonyl)cyclopentyl)pyridin-
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Mol. Formula:
C12H18N2O2S

M.W.:
254.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3809185

Name:
1-(3-(2-(Methylsulfonyl)phenyl)-5-propoxy-1H-indol
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Mol. Formula:
C20H21NO4S

M.W.:
371.46

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
65.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3809983

Name:
N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylph
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Mol. Formula:
C25H19F3N2O3

M.W.:
452.43

3 activity values

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3809511

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(3-hydroxyphenyl)acet
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Mol. Formula:
C18H16N2O3

M.W.:
308.34

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3809350

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(2-hydroxyphenyl)acet
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Mol. Formula:
C18H16N2O3

M.W.:
308.34

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3810055

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylph
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Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3808440

Name:
N-(1-acetyl-1H-indol-3-yl)-N-(5-methoxy-2-methylph
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Mol. Formula:
C26H21F3N2O3

M.W.:
466.46

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3809558

Name:
N-(1-acetyl-1H-indol-3-yl)-N-(5-methoxy-2-methylph
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Mol. Formula:
C27H24N2O4

M.W.:
440.50

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
68.61

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3809132

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acet
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Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3810307

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(2-methoxyphenyl)acet
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Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3810059

Name:
N-(1-acetyl-1H-indol-3-yl)-N-(5-methoxy-2-methylph
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Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3809383

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(3-fluorophenyl)aceta
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Mol. Formula:
C18H15FN2O2

M.W.:
310.33

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
42.31

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3808473

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(4-methoxyphenyl)acet
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Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3810287

Name:
N-(1-Acetyl-1H-indol-3-yl)-N-(4-cyanophenyl)acetam
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Mol. Formula:
C19H15N3O2

M.W.:
317.35

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
66.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4284812

Name:
N-(4-fluorobenzyl)-1,3,6-trimethyl-2-oxo-2,3-dihyd
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Mol. Formula:
C17H18FN3O3S

M.W.:
363.41