Compounds

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4292772

Name:
N-[4-(butan-2-yl)phenyl]-4-(8-butoxy-1,3-dimethyl-
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Mol. Formula:
C25H35N5O4

M.W.:
469.59

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4291934

Name:
4-(1,3-dimethyl-2,6-dioxo-8-propoxy-2,3,6,7-tetrah
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Mol. Formula:
C23H31N5O4

M.W.:
441.53

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4290996

Name:
N-(4-tert-butylphenyl)-4-(8-ethoxy-1,3-dimethyl-2,
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Mol. Formula:
C23H31N5O4

M.W.:
441.53

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4288977

Name:
4-(8-ethoxy-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahy
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Mol. Formula:
C22H29N5O4

M.W.:
427.51

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4287148

Name:
N-(4-chlorophenyl)-2-(8-ethoxy-1,3-dimethyl-2,6-di
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Mol. Formula:
C17H18ClN5O4

M.W.:
391.82

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4284497

Name:
N-(4-tert-butylphenyl)-4-(1,3-dimethyl-2,6-dioxo-8
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Mol. Formula:
C24H33N5O4

M.W.:
455.56

6 activity values

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4283794

Name:
N-[(2-chlorophenyl)methyl]-4-(8-methoxy-1,3-dimeth
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Mol. Formula:
C19H22ClN5O4

M.W.:
419.87

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4282582

Name:
N-[4-(butan-2-yl)phenyl]-4-(1,3-dimethyl-2,6-dioxo
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Mol. Formula:
C24H33N5O4

M.W.:
455.56

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4280678

Name:
N-[(2-chlorophenyl)methyl]-2-(8-ethoxy-1,3-dimethy
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Mol. Formula:
C18H20ClN5O4

M.W.:
405.84

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4279233

Name:
N-(3-chlorophenyl)-2-(8-ethoxy-1,3-dimethyl-2,6-di
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Mol. Formula:
C17H18ClN5O4

M.W.:
391.82

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
100.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3971108

Name:
US8901315, 206

Mol. Formula:
C20H29N3O2S

M.W.:
375.54

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
67.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3969790

Name:
US8901315, 360

Mol. Formula:
C25H37N5O3S

M.W.:
487.67

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
79.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3965715

Name:
US8901315, 133

Mol. Formula:
C23H34N4O2S

M.W.:
430.62

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3950502

Name:
US8901315, 247

Mol. Formula:
C23H31N5O3S

M.W.:
457.60

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
96.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3946660

Name:
US8901315, 208

Mol. Formula:
C22H32N4O2S

M.W.:
416.59

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
67.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3945235

Name:
US8901315, 236

Mol. Formula:
C24H34N4O3S

M.W.:
458.63

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
76.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3943690

Name:
US8901315, 358

Mol. Formula:
C23H34N4O3S

M.W.:
446.62

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
68.62

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3941350

Name:
US8901315, 205

Mol. Formula:
C20H27N3O3S

M.W.:
389.52