Compounds

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
67.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4096630

Name:
(E)-3,4-dichloro-2-(3-methoxyprop-1-enyl)-1-(piper
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Mol. Formula:
C17H20Cl2N4O2

M.W.:
383.28

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
82.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4095220

Name:
rac-1-(3-aminocyclohexyl)-3,4-dichloro-2-iodo-1H-p
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Mol. Formula:
C14H15Cl2IN4O

M.W.:
453.11

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
86.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4102902

Name:
(Z)-2-[(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-6
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Mol. Formula:
C21H20N4O3

M.W.:
376.42

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
90.48

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4102030

Name:
3,4-dichloro-1-(2-(diethylamino)ethyl)-2-iodo-1H-p
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Mol. Formula:
C14H17Cl2IN4O

M.W.:
455.13

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4101554

Name:
3,4-dichloro-2-(3,6-dihydro-2H-pyran-4-yl)-1-(pipe
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Mol. Formula:
C18H20Cl2N4O2

M.W.:
395.29

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
82.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4100435

Name:
rac-3,4-dichloro-2-(cyclopropylethynyl)-1-(piperid
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Mol. Formula:
C18H18Cl2N4O

M.W.:
377.28

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4093592

Name:
rac-3,4-dichloro-2-iodo-1-(pyrrolidin-3-ylmethyl)-
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Mol. Formula:
C13H13Cl2IN4O

M.W.:
439.08

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4092706

Name:
3,4-dichloro-2-phenyl-1-(piperidin-3-yl)-1H-pyrrol
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Mol. Formula:
C19H18Cl2N4O

M.W.:
389.29

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4089255

Name:
rac-3,4-dichloro-2-iodo-1-(2-oxopiperidin-4-yl)-1H
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Mol. Formula:
C13H11Cl2IN4O2

M.W.:
453.07

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
90.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4087517

Name:
1-(4-(aminomethyl)cyclohexyl)-3,4-dichloro-2-iodo-
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Mol. Formula:
C15H17Cl2IN4O

M.W.:
467.14

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
86.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4086532

Name:
rac-3,4-dichloro-1-(3-hydroxycyclohexyl)-2-iodo-1H
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Mol. Formula:
C14H14Cl2IN3O2

M.W.:
454.10

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
81.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4085846

Name:
rac-3,4-dichloro-2-iodo-1-(pyrrolidin-2-ylmethyl)-
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Mol. Formula:
C13H13Cl2IN4O

M.W.:
439.08

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4084988

Name:
rac-3,4-dichloro-2-iodo-1-(piperidin-3-yl)-1H-pyrr
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Mol. Formula:
C13H13Cl2IN4O

M.W.:
439.08

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4084953

Name:
(Z)-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridi
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Mol. Formula:
C22H22N4O3

M.W.:
390.44

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
90.48

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4090269

Name:
3,4-dichloro-2-(2-(methoxymethyl)cyclopropyl)-1-(p
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Mol. Formula:
C18H22Cl2N4O2

M.W.:
397.31

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
82.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4074201

Name:
(Z)-2-[(6-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)meth
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Mol. Formula:
C24H26N4O3

M.W.:
418.50

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
79.48

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4073332

Name:
3,4-dichloro-1-(piperidin-3-yl)-2-(tetrahydrofuran
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Mol. Formula:
C17H20Cl2N4O2

M.W.:
383.28

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
82.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4072887

Name:
3,4-dichloro-2-iodo-1-(piperidin-4-ylmethyl)-1H-py
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Mol. Formula:
C14H15Cl2IN4O

M.W.:
453.11

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4071926

Name:
3,4-dichloro-2-(2-methylprop-1-enyl)-1-(piperidin-
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Mol. Formula:
C17H20Cl2N4O

M.W.:
367.28