Compounds

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4871536

Name:
4-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C24H24Cl2N2O

M.W.:
427.38

Type:
Unknown

AlogP:
6.31

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4867338

Name:
(2S,3S)-1-benzyl-3-((3,5-dichlorobenzyl)oxy)-2-phe
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Mol. Formula:
C25H25Cl2NO

M.W.:
426.39

Type:
Unknown

AlogP:
6.92

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4866995

Name:
5-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C24H23Cl2NO3S

M.W.:
476.43

Type:
Unknown

AlogP:
6.68

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4865602

Name:
2-(((2S,3S)-1-(2-((1,3,4-oxadiazol-2-yl)methyl)ben
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Mol. Formula:
C29H29Cl2N3O3

M.W.:
538.48

Type:
Unknown

AlogP:
6.42

Polar Surface Area:
71.62

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4865349

Name:
Methyl (3-(((1R,2S,3S)-3-((3,5-bis(trifluoromethyl
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Mol. Formula:
C26H26F6N4O4

M.W.:
572.51

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
98.24

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4863830

Name:
3-(((2S,3S)-3-(1-(3,5-dichlorophenyl)-2-hydroxyeth
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Mol. Formula:
C29H28Cl2N2O4

M.W.:
539.46

Type:
Unknown

AlogP:
6.63

Polar Surface Area:
85.79

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4863691

Name:
2-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C22H22Cl2N2OS

M.W.:
433.40

Type:
Unknown

AlogP:
6.37

Polar Surface Area:
25.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4863314

Name:
2-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C22H22Cl2N2O2

M.W.:
417.34

Type:
Unknown

AlogP:
5.90

Polar Surface Area:
38.50

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4858069

Name:
3-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C24H24Cl2N2O

M.W.:
427.38

Type:
Unknown

AlogP:
6.31

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4857370

Name:
4-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C26H25Cl2NO3

M.W.:
470.40

Type:
Unknown

AlogP:
6.61

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4856290

Name:
2-(((2S,3S)-1-((1H-imidazol-2-yl)methyl)-2-phenylp
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Mol. Formula:
C23H25Cl2N3O2

M.W.:
446.38

9 activity values

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
61.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4861358

Name:
2-(((2S,3S)-1-(benzo[c][1,2,5]oxadiazol-4-ylmethyl
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Mol. Formula:
C26H25Cl2N3O3

M.W.:
498.41

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
71.62

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4860488

Name:
4-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C27H27Cl2NO4

M.W.:
500.42

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4860278

Name:
4-(((2S,3S)-3-(1-(3,5-dichlorophenyl)-2-hydroxyeth
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Mol. Formula:
C27H27Cl2NO4

M.W.:
500.42

9 activity values

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
70.00

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4860118

Name:
(2S,3S)-1-(4-(2H-tetrazol-5-yl)benzyl)-3-((3,5-dic
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Mol. Formula:
C26H25Cl2N5O

M.W.:
494.43

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
66.93

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4859793

Name:
5-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C25H24Cl2N2O3

M.W.:
471.38

Type:
Unknown

AlogP:
6.01

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4847402

Name:
5-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpi
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Mol. Formula:
C25H24Cl2N2O3

M.W.:
471.38

Type:
Unknown

AlogP:
6.01

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4846392

Name:
2-(((2S,3S)-1-(4-(2H-tetrazol-5-yl)benzyl)-2-pheny
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Mol. Formula:
C27H27Cl2N5O2

M.W.:
524.45

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
87.16

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4845907

Name:
(2S,3S)-1-((1H-Imidazol-2-yl)methyl)-3-((3,5-dichl
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Mol. Formula:
C22H23Cl2N3O

M.W.:
416.35