Compounds

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4291854

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-3-(4-(met
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Mol. Formula:
C25H23N3O2S2

M.W.:
461.61

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
46.09

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4290513

Name:
3-(4-bromophenyl)-5-(2,3-dihydrobenzo[b][1,4]dioxa
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Mol. Formula:
C24H20BrN3O2S

M.W.:
494.41

13 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4288433

Name:
3-(2-bromophenyl)-5-(2,3-dihydrobenzo[b][1,4]dioxa
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Mol. Formula:
C24H20BrN3O2S

M.W.:
494.41

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4287349

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-N-phenyl-
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Mol. Formula:
C25H20F3N3O2S

M.W.:
483.52

Type:
Small molecule

AlogP:
6.02

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4286889

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-N-phenyl-
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Mol. Formula:
C22H19N3O2S2

M.W.:
421.55

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
46.09

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4285067

Name:
3-(3-chlorophenyl)-5-(2,3-dihydrobenzo[b][1,4]diox
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Mol. Formula:
C24H20ClN3O2S

M.W.:
449.96

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4283993

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-3-(4-nitr
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Mol. Formula:
C24H20N4O4S

M.W.:
460.52

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
89.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4282640

Name:
3-(4-chlorophenyl)-5-(2,3-dihydrobenzo[b][1,4]diox
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Mol. Formula:
C24H20ClN3O2S

M.W.:
449.96

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4281642

Name:
3-(3,4-dichlorophenyl)-5-(2,3-dihydrobenzo[b][1,4]
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Mol. Formula:
C24H19Cl2N3O2S

M.W.:
484.41

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4280550

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-3-(2-meth
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Mol. Formula:
C25H23N3O3S

M.W.:
445.54

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
55.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4277125

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-3-(3-meth
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Mol. Formula:
C25H23N3O3S

M.W.:
445.54

75 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
55.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4276699

Name:
5-(2,3-dihydrobenzo[b][1,4]dioxane-6-yl)-N-phenyl-
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Mol. Formula:
C25H23N3O2S

M.W.:
429.55

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
46.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4249291

Name:
2,2'-oxybis(N-(4-(3-(2,6-difluoro-3-(propylsulfona
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Mol. Formula:
C52H46F4N8O9S2

M.W.:
1067.11

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4228935

Name:
3-(4-Fluorobenzamido)-N-(1H-indazol-5-yl)benzamide

Mol. Formula:
C21H15FN4O2

M.W.:
374.38

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4228664

Name:
N-(3-((1H-Indazol-5-yl)carbamoyl)phenyl)-3-fluorob
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Mol. Formula:
C21H15FN4O2

M.W.:
374.38

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4228405

Name:
N-(1H-Indazol-5-yl)-3-(4-(trifluoromethyl)benzamid
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Mol. Formula:
C22H15F3N4O2

M.W.:
424.38

26 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4228325

Name:
N-(1H-Indol-5-yl)-3-(4-phenoxybenzamido)benzamide

Mol. Formula:
C28H21N3O3

M.W.:
447.49

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
83.22

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4228289

Name:
N-(3-((1H-Indol-5-yl)carbamoyl)phenyl)-6-chloropic
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Mol. Formula:
C21H15ClN4O2

M.W.:
390.83