Compounds

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4744739

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-(4-
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Mol. Formula:
C28H29F5N2S

M.W.:
520.61

Type:
Unknown

AlogP:
7.06

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4744200

Name:
(S)-2-(bis(4-fluorophenyl)methylsulfinyl)acetamide

Mol. Formula:
C15H13F2NO2S

M.W.:
309.34

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
66.15

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4742866

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amin
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Mol. Formula:
C24H28F2N2OS

M.W.:
430.56

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4742033

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amin
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Mol. Formula:
C29H29F2N3OS

M.W.:
505.63

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
48.13

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4741279

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amin
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Mol. Formula:
C27H27F3N2OS

M.W.:
484.59

11 activity values

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4765081

Name:
1-(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)am
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Mol. Formula:
C25H32F2N2OS

M.W.:
446.61

9 activity values

7 unique targets

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4764168

Name:
N-(2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)-1
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Mol. Formula:
C25H34F2N2OS

M.W.:
448.62

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4762706

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)
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Mol. Formula:
C28H29F3N2O2S

M.W.:
514.61

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4762414

Name:
1-(Benzofuran-2-ylmethyl)-N-(2-((bis(4-fluoropheny
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Mol. Formula:
C29H30F2N2OS

M.W.:
492.64

Type:
Unknown

AlogP:
6.79

Polar Surface Area:
28.41

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4758774

Name:
1-(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethy
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Mol. Formula:
C29H34F2N2O2S

M.W.:
512.67

11 activity values

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
58.56

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4758124

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)(met
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Mol. Formula:
C28H29F3N2OS

M.W.:
498.61

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4757505

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)
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Mol. Formula:
C27H28F2N2O2S

M.W.:
482.60

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4756427

Name:
1-(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethy
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Mol. Formula:
C25H32F2N2O2S

M.W.:
462.61

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4777080

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)
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Mol. Formula:
C27H27F3N2O2S

M.W.:
500.59

12 activity values

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4785024

Name:
(R)-2-(bis(4-fluorophenyl)methylsulfinyl)acetamide

Mol. Formula:
C15H13F2NO2S

M.W.:
309.34

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
66.15

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4784884

Name:
1-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-N-(4-
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Mol. Formula:
C28H29F5N2S

M.W.:
520.61

Type:
Unknown

AlogP:
7.06

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4784393

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)(met
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Mol. Formula:
C28H29F3N2OS

M.W.:
498.61

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4783618

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-neo
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Mol. Formula:
C25H34F2N2S

M.W.:
432.62

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4782055

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)
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Mol. Formula:
C27H26F4N2O2S

M.W.:
518.58