Compounds

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1093543

Name:
(3R,4S,5S)-1-{[(3R,4S)-1-tert-Butyl-4-(2,4-difluor
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Cas Number:
1222098-03-4

Mol. Formula:
C28H36F2N2O2

M.W.:
470.60

1 activity values

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1089892

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli
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Mol. Formula:
C27H32F4N2O2

M.W.:
492.56

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1091633

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli
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Mol. Formula:
C27H33F3N2O2

M.W.:
474.57

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1091632

Name:
((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimet
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Mol. Formula:
C27H33ClF2N2O2

M.W.:
491.02

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1091631

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli
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Mol. Formula:
C27H34F2N2O2

M.W.:
456.58

12 activity values

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1090885

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-
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Mol. Formula:
C26H31F3N2O2

M.W.:
460.54

10 activity values

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1093858

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin
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Mol. Formula:
C25H29F3N2O2

M.W.:
446.51

8 activity values

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1093857

Name:
((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimet
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Mol. Formula:
C25H29ClF2N2O2

M.W.:
462.97

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1093855

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C25H36F2N2O2

M.W.:
434.57

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1090162

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C25H38F2N2O2

M.W.:
436.59

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1090161

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C25H38F2N2O2

M.W.:
436.59

8 activity values

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1089830

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C27H35F2N3O2

M.W.:
471.59

9 activity values

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1090813

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C28H34F4N2O2

M.W.:
506.58

9 activity values

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1092550

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C28H34F4N2O2

M.W.:
506.58

8 activity values

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1092548

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C28H35F3N2O2

M.W.:
488.59

11 activity values

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1089442

Name:
4-((3S,4R,5R)-1-((3S,4R)-1-tert-butyl-4-(2,4-diflu
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Mol. Formula:
C29H35F2N3O2

M.W.:
495.61

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
67.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1091150

Name:
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol
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Mol. Formula:
C28H35ClF2N2O2

M.W.:
505.05

11 activity values

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1090487

Name:
1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyr
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Mol. Formula:
C26H32F2N2O2

M.W.:
442.55

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1093801

Name:
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli
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Mol. Formula:
C27H32F4N2O2

M.W.:
492.56