Compounds

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
150.18

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4875327

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imid
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Mol. Formula:
C28H26ClF6N7O4

M.W.:
674.00

10 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
129.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4874451

Name:
(S)-4-Chloro-8-oxo-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-te
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Mol. Formula:
C31H30ClF3N6O3

M.W.:
627.07

Type:
Unknown

AlogP:
5.23

Polar Surface Area:
112.54

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4874351

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahyd
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Mol. Formula:
C30H31ClF3N5O3

M.W.:
602.06

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
88.75

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4874157

Name:
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(6-oxo-5,6,8,9
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Mol. Formula:
C29H31ClF3N7O4

M.W.:
634.06

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
123.64

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4873378

Name:
(S)-4-Chloro-1,1-difluoro-7-{2-oxo-2-[4-(2-oxo-1,2
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Mol. Formula:
C30H29ClF5N5O4

M.W.:
654.04

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
102.06

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4873084

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahyd
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Mol. Formula:
C29H29ClF3N5O5

M.W.:
620.03

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
118.96

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4871223

Name:
(S)-4-Chloro-8-oxo-7-{2-oxo-2-[4-(2-oxo-2,3-dihydr
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Mol. Formula:
C28H25ClF3N7O3

M.W.:
600.00

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
130.88

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4857649

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahyd
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Mol. Formula:
C31H31ClF6N6O4

M.W.:
701.07

18 activity values

5 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
110.75

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1092208

Name:
2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[
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Mol. Formula:
C31H27N5O2

M.W.:
501.59

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
87.22

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1089772

Name:
(4'S)-2-((2a-ethyl-4-oxo-2a,3,4,5-tetrahydropyrrol
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Mol. Formula:
C28H27N5O3

M.W.:
481.56

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1089433

Name:
2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro
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Mol. Formula:
C30H25N5O2

M.W.:
487.56

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
87.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1092838

Name:
(4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetra
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Mol. Formula:
C27H25N5O3

M.W.:
467.53

17 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1092837

Name:
1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent
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Mol. Formula:
C29H23N5O2

M.W.:
473.54

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
87.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1090841

Name:
(4'S)-3'-methyl-2-((4-oxo-2a,3,4,5-tetrahydropyrro
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Mol. Formula:
C26H23N5O3

M.W.:
453.50

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1090515

Name:
(R)-6-methyl-1-((2'-oxo-1',2',6,8-tetrahydrospiro[
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Mol. Formula:
C29H22N6O3

M.W.:
502.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
102.12

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1092883

Name:
(S)-6-methyl-1-((3'-methyl-2',5'-dioxo-6,8-dihydro
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Mol. Formula:
C26H22N6O4

M.W.:
482.50

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
109.54

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1092882

Name:
(R)-1-((2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent
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Mol. Formula:
C28H20N6O3

M.W.:
488.51

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
110.91

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1090848

Name:
(S)-1-((3'-methyl-2',5'-dioxo-6,8-dihydrospiro[cyc
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Mol. Formula:
C25H20N6O4

M.W.:
468.47

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
118.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1090847

Name:
(R)-2-((2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl)
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Mol. Formula:
C28H22N4O2

M.W.:
446.51