Compounds

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
125.47

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4741876

Name:
6-(2-Fluoro-6-methylphenyl)-1-(4-(4-methylpiperazi
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Mol. Formula:
C25H25FN4

M.W.:
400.50

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
24.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4741772

Name:
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(5-(1
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Mol. Formula:
C30H33N7O4

M.W.:
555.64

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
138.53

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4776227

Name:
(S)-2-((3,3-Dimethyl-1-oxo-1,3-dihydroisobenzofura
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Mol. Formula:
C23H23N5O4

M.W.:
433.47

5 activity values

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
139.46

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4763655

Name:
(S)-1-(6-(6-(2-Fluoro-6-methoxyphenyl)-1H-pyrazolo
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Mol. Formula:
C24H25FN6O

M.W.:
432.50

3 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4763505

Name:
6-(2-fluoro-6-methoxyphenyl)-1-(6-(pyrrolidin-1-yl
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Mol. Formula:
C22H20FN5O

M.W.:
389.43

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
56.07

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4761884

Name:
(S)-2-((3,3-Dimethyl-1-oxo-1,3-dihydroisobenzofura
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Mol. Formula:
C24H25N5O4

M.W.:
447.50

7 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
125.47

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4761304

Name:
(S)-2-((3,3-Dimethyl-1-oxo-1,3-dihydroisobenzofura
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Mol. Formula:
C26H29N5O4

M.W.:
475.55

5 activity values

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
125.47

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4760447

Name:
6-(2-Fluoro-6-methoxyphenyl)-1-(6-(4-methylpiperaz
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Mol. Formula:
C23H23FN6O

M.W.:
418.48

11 activity values

3 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4759406

Name:
(S)-5-((5-(3-(tert-Butyl)-1,2,4-oxadiazol-5-yl)-4-
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Mol. Formula:
C28H30N6O4

M.W.:
514.59

8 activity values

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
135.29

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4758887

Name:
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(5-(q
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Mol. Formula:
C31H33N7O4

M.W.:
567.65

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
138.53

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4758698

Name:
3-((5-cyclopropyl-1H-pyrrol-2-yl)methylene)-7-fluo
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Mol. Formula:
C24H21FN4O2

M.W.:
416.46

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
79.04

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4758572

Name:
(S)-5-((5-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl
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Mol. Formula:
C30H25FN6O4

M.W.:
552.57

8 activity values

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
135.29

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4758114

Name:
(S)-5-((5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-4-((2-hyd
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Mol. Formula:
C26H26N6O4

M.W.:
486.53

8 activity values

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
135.29

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4780798

Name:
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(3-(q
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Mol. Formula:
C31H33N7O4

M.W.:
567.65

9 activity values

6 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
138.53

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4779496

Name:
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(5-me
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Mol. Formula:
C25H24N6O4

M.W.:
472.51

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
135.29

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4778959

Name:
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(3-(1
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Mol. Formula:
C30H33N7O4

M.W.:
555.64

9 activity values

6 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
138.53

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4776545

Name:
3-((1H-pyrrolo[3,2-c]pyridin-2-yl)methylene)-5-(8-
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Mol. Formula:
C24H19N5O2

M.W.:
409.45

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
91.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4784784

Name:
(S)-5-((5-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(
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Mol. Formula:
C27H26N6O4

M.W.:
498.54

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
135.29

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4784231

Name:
6-(6-(2-Fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]
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Mol. Formula:
C18H14FN5O

M.W.:
335.34