Compounds

Type:
---

AlogP:
2.80

Polar Surface Area:
33.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4450133

Name:
(S)-3-(4-(3-(Benzyloxy)phenyl)-1H-1,2,3-triazol-1-
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Mol. Formula:
C22H24N4O

M.W.:
360.46

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4442125

Name:
(S)-3-(4-(3-((4-Fluorobenzyl)oxy)phenyl)-1H-1,2,3-
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Mol. Formula:
C22H23FN4O

M.W.:
378.45

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2130744

Name:
1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo
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Mol. Formula:
C17H21ClN2O2

M.W.:
320.82

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
45.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA143197

Name:
1H-Indole-3-carboxylic acid 9-methyl-3-oxa-9-aza-t
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Mol. Formula:
C17H18N2O3

M.W.:
298.34

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
57.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA356287

Name:
7-Amino-6-chloro-benzo[1,2,5]thiadiazole-4-carboxy
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Mol. Formula:
C15H18ClN5OS

M.W.:
351.86

4 activity values

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
84.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA143871

Name:
5-Amino-6-chloro-quinoline-8-carboxylic acid (1-az
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Mol. Formula:
C18H21ClN4O

M.W.:
344.85

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
71.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA142687

Name:
7-Amino-6-chloro-benzo[1,2,5]thiadiazole-4-carboxy
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Mol. Formula:
C14H16ClN5OS

M.W.:
337.84

4 activity values

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
84.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA434999

Name:
5-Amino-6-chloro-quinoline-8-carboxylic acid (1-az
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Mol. Formula:
C17H19ClN4O

M.W.:
330.82

4 activity values

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
71.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA356567

Name:
5-Methoxy-1H-indole-4-carboxylic acid (1-aza-bicyc
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Mol. Formula:
C17H21N3O2

M.W.:
299.37

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
57.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA358853

Name:
8-(2-Amino-ethyl)-5,6,7,8-tetrahydro-naphthalen-2-
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Mol. Formula:
C12H17NO

M.W.:
191.27

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA348460

Name:
4-(2-Amino-ethyl)-quinolin-6-ol

Mol. Formula:
C11H12N2O

M.W.:
188.23

2 activity values

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA337592

Name:
3-(2-Amino-ethyl)-5-hydroxy-1H-indole-2-carbonitri
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Mol. Formula:
C11H11N3O

M.W.:
201.23

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
85.83

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA337591

Name:
2-(8-Aza-bicyclo[3.2.1]oct-3-yl)-1-(6-hydroxy-1H-i
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
65.12

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA265110

Name:
Pyrrolo[1,2-a]indol-9-one O-(2-benzylamino-ethyl)-
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Mol. Formula:
C20H19N3O

M.W.:
317.39

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
38.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA343384

Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-amino-
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Mol. Formula:
C12H13N3OS

M.W.:
247.32

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
52.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA334923

Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-dimeth
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Mol. Formula:
C14H17N3OS

M.W.:
275.38

20 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
29.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA140105

Name:
Thieno[2,3-b]pyrrolizin-8-one O-(2-diethylamino-et
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Mol. Formula:
C15H19N3OS

M.W.:
289.40

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
29.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA344248

Name:
Thieno[2,3-b]pyrrolizin-8-one O-(2-dimethylamino-e
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Mol. Formula:
C13H15N3OS

M.W.:
261.35

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
29.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA342138

Name:
3-Methyl-thieno[2,3-b]pyrrolizin-8-one O-(2-piperi
Show More⌵

Mol. Formula:
C17H21N3OS

M.W.:
315.44