Compounds

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4476651

Name:
(E)-N-(4-(morpholinomethyl)-3-(trifluoromethyl)phe
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Mol. Formula:
C29H28F3N5O2S

M.W.:
567.64

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
83.14

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4476585

Name:
4-((6,7-Dimethoxyquinolin-4-yl)oxy)-N-(3-(trifluor
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Mol. Formula:
C26H21F3N2O4

M.W.:
482.46

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4536300

Name:
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(6-m
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Mol. Formula:
C23H17ClF3N5O2

M.W.:
487.87

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4536196

Name:
2-(3,4-Difluorophenyl)-N-(4-((6,7-dimethoxyquinoli
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Mol. Formula:
C25H20F2N2O4

M.W.:
450.44

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4521712

Name:
(E)-N1-(2,5-Difluorophenyl)-N3-(3-(2-(pyridin-2-yl
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Mol. Formula:
C23H17F2N5O2

M.W.:
433.42

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4520978

Name:
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(2-chloro
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Mol. Formula:
C26H19Cl2F3N2O4

M.W.:
551.35

Type:
Unknown

AlogP:
7.55

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4520357

Name:
(E)-N-phenyl-3-((3-(2-(pyridin-2-yl)vinyl)-1H-inda
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Mol. Formula:
C23H20N4OS

M.W.:
400.51

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4532945

Name:
(E)-N1-(3,5-Difluorophenyl)-N3-(3-(2-(pyridin-2-yl
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Mol. Formula:
C23H17F2N5O2

M.W.:
433.42

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4532034

Name:
4'-Methoxy-[2,3']bipyridinyl-4-carboxylic Acid [1-
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Mol. Formula:
C23H23N5O3

M.W.:
417.47

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
105.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4531249

Name:
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-
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Mol. Formula:
C26H19ClF4N2O4

M.W.:
534.89

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4560999

Name:
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(4-(
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Mol. Formula:
C29H28ClF3N6O2

M.W.:
585.03

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
93.36

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4560754

Name:
(E)-N-(4-methoxy-3-(trifluoromethyl)phenyl)-3-((3-
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Mol. Formula:
C25H21F3N4O2S

M.W.:
498.53

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4560340

Name:
(E)-N-(3-fluorophenyl)-3-((3-(2-(pyridin-2-yl)viny
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Mol. Formula:
C23H19FN4OS

M.W.:
418.50

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4558439

Name:
(E)-3-((3-(2-(Pyridin-2-yl)vinyl)-1H-indazol-6-yl)
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Mol. Formula:
C24H22N4OS

M.W.:
414.53

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4556829

Name:
N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoro
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Mol. Formula:
C29H31F3N6OS

M.W.:
568.67

6 activity values

4 unique targets

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
77.15

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4556776

Name:
(E)-N-(3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-
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Mol. Formula:
C25H21F3N4OS

M.W.:
482.53

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4556480

Name:
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(5-(
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Mol. Formula:
C24H18ClF3N6O3

M.W.:
530.89

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
128.87

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4571463

Name:
N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-2-(3
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Mol. Formula:
C25H21FN2O4

M.W.:
432.45

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4571136

Name:
(E)-N1-(3-Bromophenyl)-N3-(3-(2-(pyridin-2-yl)viny
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Mol. Formula:
C23H18BrN5O2

M.W.:
476.33