Compounds

ALA4098195

Name:
4-(4-(1H-indole-2-carboxamido)piperidin-1-yl)-4-ox
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Mol. Formula:
C18H21N3O4

M.W.:
343.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
102.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4098045

Name:
methyl 3-(4-(4,5-dibromo-1H-pyrrole-2-carboxamido)
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Mol. Formula:
C14H17Br2N3O4

M.W.:
451.12

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
91.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4097861

Name:
methyl ((cis)-4-(4,5-dibromo-1H-pyrrole-2-carboxam
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Mol. Formula:
C15H19Br2N3O4

M.W.:
465.14

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
100.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4095924

Name:
4-((4-(4,5-dibromo-1H-pyrrole-2-carboxamido)piperi
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Mol. Formula:
C18H19Br2N3O3

M.W.:
485.18

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
85.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4095762

Name:
4-(4-(N-benzyl-1H-indole-2-carboxamido)piperidin-1
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Mol. Formula:
C25H27N3O4

M.W.:
433.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
93.71

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4095507

Name:
Methyl 3-(4-(4,5-dibromo-1H-pyrrole-2-carbonyl)pip
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Mol. Formula:
C13H15Br2N3O4

M.W.:
437.09

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
82.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4095179

Name:
(4-((1H-pyrrol-2-yl)methyl)piperazin-1-yl)(2-amino
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Mol. Formula:
C13H19ClN6O

M.W.:
310.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.28

Polar Surface Area:
94.04

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4104277

Name:
methyl 4-(4-(1H-indole-2-carboxamido)piperidine-1-
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Mol. Formula:
C23H23N3O4

M.W.:
405.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
91.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4103680

Name:
4-(4-(4,5-dibromo-1H-pyrrole-2-carboxamido)piperid
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Mol. Formula:
C18H17Br2N3O4

M.W.:
499.16

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
102.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4101851

Name:
methyl 4-(4-(1H-pyrrole-2-carboxamido)piperidin-1-
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Mol. Formula:
C15H21N3O4

M.W.:
307.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
91.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4100792

Name:
3-(4-(4,5-dibromo-1H-pyrrole-2-carbonyl)piperazin-
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Mol. Formula:
C12H13Br2N3O4

M.W.:
423.06

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
93.71

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4099919

Name:
methyl 3-(4-(1H-indole-2-carboxamido)piperidin-1-y
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Mol. Formula:
C18H21N3O4

M.W.:
343.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
91.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4094273

Name:
3-((trans)-4-((4,5-dibromo-1H-pyrrole-2-carboxamid
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Mol. Formula:
C16H21Br2N3O4

M.W.:
479.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
111.29

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4092560

Name:
4-(4-(N-allyl-4,5-dibromo-1H-pyrrole-2-carboxamido
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Mol. Formula:
C17H21Br2N3O4

M.W.:
491.18

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
93.71

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4090861

Name:
3-((cis)-4-(4,5-dibromo-1H-pyrrole-2-carboxamido)c
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Mol. Formula:
C15H19Br2N3O4

M.W.:
465.14

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
111.29

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4088040

Name:
4-(4-(N-allyl-1H-indole-2-carboxamido)piperidin-1-
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Mol. Formula:
C21H25N3O4

M.W.:
383.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
93.71

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4087474

Name:
(2-amino-1H-imidazol-5-yl)(4-nicotinoylpiperazin-1
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Mol. Formula:
C14H17ClN6O2

M.W.:
336.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.01

Polar Surface Area:
108.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4090385

Name:
3-(4-(1H-indole-2-carboxamido)piperidin-1-yl)-3-ox
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Mol. Formula:
C17H19N3O4

M.W.:
329.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
102.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4090142

Name:
methyl 4-(4-(N-benzyl-4,5-dibromo-1H-pyrrole-2-car
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Mol. Formula:
C22H25Br2N3O4

M.W.:
555.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
82.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4090063

Name:
tert-butyl 4-(1H-indole-2-carboxamido)piperidine-1
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Mol. Formula:
C19H25N3O3

M.W.:
343.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
74.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS