Compounds

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4643996

Name:
5-(2,3-dichloro-4-(N-((S)-1,1,1-trifluoropropan-2-
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Mol. Formula:
C23H26Cl2F4N4O5S2

M.W.:
649.52

54 activity values

15 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4639401

Name:
5-(2,3-dichloro-4-(N-((S)-1,1,1-trifluoropropan-2-
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Mol. Formula:
C25H29Cl2F3N4O5S2

M.W.:
657.56

10 activity values

4 unique targets

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4637820

Name:
5-(2,3-dichloro-4-(N-((S)-1,1,1-trifluoropropan-2-
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Mol. Formula:
C24H29Cl2F3N4O5S2

M.W.:
645.55

6 activity values

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4634571

Name:
5-(2,3-dichloro-4-(N-((S)-1,1,1-trifluoropropan-2-
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Mol. Formula:
C24H29Cl2F3N4O5S2

M.W.:
645.55

22 activity values

11 unique targets

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4633610

Name:
5-(2,3-dichloro-4-(N-((S)-1,1,1-trifluoropropan-2-
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Mol. Formula:
C24H29Cl2F3N4O5S2

M.W.:
645.55

4 activity values

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4295190

Name:
2-amino-4-(2-chlorobenzoyl)-5-(3-chlorophenyl)-1H-
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Mol. Formula:
C18H11Cl2N3O

M.W.:
356.21

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
82.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4294059

Name:
(2-chlorophenyl)(4-(3-chlorophenyl)thiazol-5-yl)me
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Mol. Formula:
C16H9Cl2NOS

M.W.:
334.23

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
29.96

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4293998

Name:
(2-chlorophenyl)(3-(3,4-dichlorophenyl)thiophen-2-
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Mol. Formula:
C17H9Cl3OS

M.W.:
367.68

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
17.07

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4293341

Name:
(5-amino-3'-(trifluoromethyl)biphenyl-2-yl)(2-chlo
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Mol. Formula:
C20H13ClF3NO

M.W.:
375.78

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
43.09

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4292696

Name:
(5-amino-3-(3,5-bis(trifluoromethyl)phenyl)thiophe
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Mol. Formula:
C19H10ClF6NOS

M.W.:
449.80

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
43.09

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4292527

Name:
(3-(4-(tert-butyl)phenyl)thiophen-2-yl)(2-chloroph
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Mol. Formula:
C21H19ClOS

M.W.:
354.90

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
17.07

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4292343

Name:
(3-(3-bromo-5-isopropoxyphenyl)thiophen-2-yl)(2-ch
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Mol. Formula:
C20H16BrClO2S

M.W.:
435.77

Type:
Small molecule

AlogP:
6.85

Polar Surface Area:
26.30

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4291888

Name:
(5-amino-3-(3-(trifluoromethyl)phenyl)thiophen-2-y
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Mol. Formula:
C19H14F3NO2S

M.W.:
377.39

4 activity values

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
52.32

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4291752

Name:
(2-chlorophenyl)(4-(3-chlorophenyl)pyrrolo[1,2-a]p
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Mol. Formula:
C20H12Cl2N2O

M.W.:
367.24

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
34.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4290788

Name:
(2-chlorophenyl)(3'-(trifluoromethyl)-[1,1'-biphen
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Mol. Formula:
C20H12ClF3O

M.W.:
360.76

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4289691

Name:
(5-amino-3-(3,5-dichlorophenyl)thiophen-2-yl)(2-ch
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Mol. Formula:
C17H10Cl3NOS

M.W.:
382.70

4 activity values

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
43.09

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4289114

Name:
(4-(3-bromo-5-(trifluoromethyl)phenyl)thiazol-5-yl
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Mol. Formula:
C17H8BrClF3NOS

M.W.:
446.68

3 activity values

Type:
Small molecule

AlogP:
6.48

Polar Surface Area:
29.96

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4288937

Name:
(2-methoxyphenyl)(3-(3-(trifluoromethyl)phenyl)thi
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Mol. Formula:
C19H13F3O2S

M.W.:
362.37