Compounds

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
90.53

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4557289

Name:
5-[1'-(1-cyclopropyl-4-methoxy-3-methyl-indole-6-c
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Cas Number:
1039758-22-9

Mol. Formula:
C33H31N3O6

M.W.:
565.63

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
110.96

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4567446

Name:
4-[4-(1-isopropyl-7-oxo-spiro[4,6-dihydroindazole-
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Cas Number:
1370448-25-1

Mol. Formula:
C28H30N4O5

M.W.:
502.57

89 activity values

32 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
114.62

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4743517

Name:
2'-(tert-butyl)-1-(2-morpholinoquinoline-4-carbony
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Mol. Formula:
C28H33N5O4

M.W.:
503.60

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
89.79

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4742115

Name:
N-{1-[4-({4-[3-(Cyclopropylmethoxy)phenoxy]-2,6-di
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Mol. Formula:
C27H27F2NO4

M.W.:
467.51

14 activity values

7 unique targets

Type:
Unknown

AlogP:
6.32

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4740877

Name:
2'-(tert-butyl)-1-(2-chloroquinoline-4-carbonyl)-2
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Mol. Formula:
C24H25ClN4O3

M.W.:
452.94

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4764202

Name:
N-{1-[6-({4-[3-(Cyclopropylmethoxy)phenoxy]-2,6-di
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Mol. Formula:
C25H25F2N3O4

M.W.:
469.49

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
82.57

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4762802

Name:
N-{1-[6-({4-[3-(Cyclopropylmethoxy)phenoxy]-2,6-di
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Mol. Formula:
C26H26F2N2O4

M.W.:
468.50

15 activity values

7 unique targets

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4761180

Name:
2'-(tert-butyl)-1-(2-methoxyquinoline-4-carbonyl)-
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Mol. Formula:
C25H28N4O4

M.W.:
448.52

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
86.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4758263

Name:
N-{1-[4-({4-[3-(Cyclopropylmethoxy)phenoxy]phenyl}
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Mol. Formula:
C27H29NO4

M.W.:
431.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4757670

Name:
N-{1-[4'-(3-Butoxyphenoxy)[1,1'-biphenyl]-4-yl]eth
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Mol. Formula:
C26H29NO3

M.W.:
403.52

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4756960

Name:
N-(1-{4'-[3-(2-Methoxyethyl)phenoxy][1,1'-biphenyl
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Mol. Formula:
C25H27NO3

M.W.:
389.50

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4581602

Name:
N-(1H-indazol-5-yl)-6-phenyl-1H-pyrrolo[3,2-b]pyri
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Mol. Formula:
C21H15N5O

M.W.:
353.39

3 activity values

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4577890

Name:
1-(1-(2-(6-(3-(Cyclopropylmethoxy)phenoxy)pyridin-
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Mol. Formula:
C26H26N4O4

M.W.:
458.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
98.51

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4780091

Name:
2'-(tert-butyl)-1-(2-(piperazin-1-yl)quinoline-4-c
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Mol. Formula:
C28H34N6O3

M.W.:
502.62

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
92.59

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4779539

Name:
2'-(tert-butyl)-1-(2-(pyridin-2-yl)quinoline-4-car
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Mol. Formula:
C29H29N5O3

M.W.:
495.58

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
90.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4777684

Name:
2'-(tert-butyl)-1-(2-(4-methylpiperazin-1-yl)quino
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Mol. Formula:
C29H36N6O3

M.W.:
516.65

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
83.80

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4777434

Name:
2'-(tert-butyl)-1-(2-(2-chlorophenyl)quinoline-4-c
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Mol. Formula:
C30H29ClN4O3

M.W.:
529.04

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4777090

Name:
2'-(tert-butyl)-1-(2-(4-(dimethylamino)phenyl)quin
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Mol. Formula:
C32H35N5O3

M.W.:
537.66

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
80.56

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4777068

Name:
1-(2-(4-aminophenyl)quinoline-4-carbonyl)-2'-(tert
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Mol. Formula:
C30H31N5O3

M.W.:
509.61

9 activity values