Compounds

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
71.33

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4540854

Name:
3,3'-(5-(4-bromophenyl)-1H-pyrrole-1,2-diyl)diprop
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Mol. Formula:
C16H16BrNO4

M.W.:
366.21

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
79.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4536780

Name:
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-(
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Mol. Formula:
C25H25Cl2F3N4O8

M.W.:
637.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4523032

Name:
3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imi
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Cas Number:
1313883-00-9

Mol. Formula:
C27H25ClN6

M.W.:
468.99

56 activity values

16 unique targets

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4535365

Name:
3-(3-(p-Tolyl)-3H-imidazo[4,5-b]pyridin-2-yl)pyrid
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Mol. Formula:
C18H15N5

M.W.:
301.35

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4533907

Name:
2-(4-oxo-3-((4-p-tolylthiazol-2-yl)methyl)-3,4-dih
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Mol. Formula:
C21H17N3O2S

M.W.:
375.45

4 activity values

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
64.85

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4558319

Name:
3-(3-(4-(Aminomethyl)phenyl)-6-bromo-3H-imidazo[4,
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Mol. Formula:
C18H16BrClN6

M.W.:
431.73

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4557494

Name:
7-chloro-8-methyl-2-(pyridin-3-yl)quinoline-4-carb
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Cas Number:
588696-83-7

Mol. Formula:
C16H11ClN2O2

M.W.:
298.73

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4554198

Name:
5-(4-Ethyl-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S)-4-
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Mol. Formula:
C22H26ClFN4OS

M.W.:
449.00

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
58.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4553900

Name:
N-(1-(4-(2-(2-Aminopyridin-3-yl)-5-phenyl-3H-imida
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Mol. Formula:
C29H26N6O

M.W.:
474.57

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
98.72

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4552655

Name:
5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-(
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Mol. Formula:
C20H18Cl2F2N4O2

M.W.:
455.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4570911

Name:
rac-N-(4-(3,4-Difluorophenyl)piperidin-3-yl)-4-(1-
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Mol. Formula:
C24H26F2N4O8

M.W.:
536.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4568743

Name:
3-(3-(4-(Aminomethyl)phenyl)-7-methyl-3H-imidazo[4
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Mol. Formula:
C19H19ClN6

M.W.:
366.86

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4528363

Name:
3-(3-(4-(2-Aminopropan-2-yl)phenyl)-5-phenyl-3H-im
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Mol. Formula:
C26H24N6

M.W.:
420.52

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4527518

Name:
2,2'-(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen
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Mol. Formula:
C17H16O8

M.W.:
348.31

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
123.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4526693

Name:
Methyl 1-(4-(2-(2-Aminopyridin-3-yl)-5-phenyl-3H-i
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Mol. Formula:
C29H25N5O2

M.W.:
475.55

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
95.92

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4526378

Name:
2-(3-aminophenyl)-6-chloroquinoline-4-carboxylic a
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Cas Number:
590359-91-4

Mol. Formula:
C16H11ClN2O2

M.W.:
298.73

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
76.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4526242

Name:
N-((3S,4S)-4-(3-fluorophenyl)piperidin-3-yl)-5-(1-
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Mol. Formula:
C26H26ClFN4OS

M.W.:
497.04

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
58.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4517839

Name:
3-(3-(4-(Aminomethyl)phenyl)-3H-imidazo[4,5-b]pyri
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Mol. Formula:
C18H17ClN6

M.W.:
352.83