Compounds

ALA4475187

Name:
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(1-phenylethyla
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Mol. Formula:
C19H22N2O

M.W.:
294.40

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4535940

Name:
(S)-1-(3,4-dihydroquinolin-1(2H)-yl)-2-(3-(methyla
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Mol. Formula:
C21H27N3O

M.W.:
337.47

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
44.37

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4556629

Name:
(2S)-2-(4-fluorophenyl)-N-(4-(methylsulfonyl)chrom
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Mol. Formula:
C19H20FNO4S

M.W.:
377.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4575681

Name:
2-(benzhydrylamino)-1-(3,4-dihydroquinolin-1(2H)-y
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Mol. Formula:
C24H24N2O

M.W.:
356.47

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5281755

Name:
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)ac
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Mol. Formula:
C17H16ClNO

M.W.:
285.77

Type:
---

AlogP:
3.17

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5280256

Name:
(S)-2-(4-fluorophenyl)-N-((3R,4R)-4-(methylsulfony
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Mol. Formula:
C20H22FNO3S

M.W.:
375.47

Type:
---

AlogP:
3.15

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5286456

Name:
(S)-N-(2,3-dihydro-1H-inden-2-yl)-2-(4-fluoropheny
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Mol. Formula:
C18H18FNO

M.W.:
283.35

Type:
---

AlogP:
3.21

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5285249

Name:
(2S)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methanesulfon
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Mol. Formula:
C19H20FNO3S

M.W.:
361.44

Type:
---

AlogP:
2.76

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5291195

Name:
(S)-N-(2,3-dihydro-1H-inden-2-yl)-2-phenylpropanam
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Mol. Formula:
C18H19NO

M.W.:
265.36

Type:
---

AlogP:
3.07

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5289481

Name:
(R)-N-(2,3-dihydro-1H-inden-2-yl)-2-phenylpronamid
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Mol. Formula:
C18H19NO

M.W.:
265.36

Type:
---

AlogP:
3.07

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5288955

Name:
(2S)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methanesulfon
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Mol. Formula:
C19H20FNO3S

M.W.:
361.44

Type:
---

AlogP:
2.76

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5272418

Name:
(S)-1-(3,4-dihydroquinolin-1(2H)-yl)-2-(2-(methyla
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Mol. Formula:
C20H24N2O2

M.W.:
324.42

Type:
---

AlogP:
2.94

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5266235

Name:
(S)-2-(4-fluorophenyl)-N-((3S,4S)-4-(methylsulfony
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Mol. Formula:
C19H20FNO4S

M.W.:
377.44

Type:
---

AlogP:
2.59

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4456545

Name:
(S)-3-(cyclopropylmethylamino)-1-(3,4-dihydrobenzo
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Mol. Formula:
C22H26N2O2

M.W.:
350.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4447269

Name:
3-((4-(benzhydryloxy)piperidin-1-yl)methyl)-N-meth
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Mol. Formula:
C26H35N3O2

M.W.:
421.59

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4446583

Name:
(2S)-N-(6-fluoro-4-hydroxychroman-3-yl)-2-phenylpr
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Mol. Formula:
C18H18FNO3

M.W.:
315.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4446107

Name:
3-(2,5-difluoro-4-methoxyphenyl)-2-ethyl-5-methyl-
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Mol. Formula:
C17H14F5N3O

M.W.:
371.31

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
39.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4443735

Name:
2-(cyclopropylmethyl)-N-(2-fluorobenzyl)-3-oxo-1,2
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Mol. Formula:
C21H21FN2O2

M.W.:
352.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA502882

Name:
4-[1-(2-Fuluoropyridine-3-yl)-5-methyl-1H-1,2,3-tr
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Cas Number:
873551-53-2

Mol. Formula:
C18H23FN6O

M.W.:
358.42

97 activity values

41 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
67.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS