Compounds

ALA4755927

Name:
Methyl 9-Benzyl-4,5,6,9-tetrahydropyrrolo[2',3':3,
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Mol. Formula:
C19H18N2O3

M.W.:
322.36

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4764928

Name:
9-(Phenylsulfonyl)-4,5,6,9-tetrahydropyrrolo[2',3'
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Mol. Formula:
C16H14N2O3S

M.W.:
314.37

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
65.10

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4753201

Name:
9-Benzyl-4,5,6,9-tetrahydropyrrolo[2',3':3,4]cyclo
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Mol. Formula:
C17H16N2O

M.W.:
264.33

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
30.96

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4794959

Name:
Ethyl 7-Chloro-9-methyl-4,5,6,9-tetrahydropyrrolo[
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Mol. Formula:
C14H15ClN2O3

M.W.:
294.74

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4793199

Name:
Ethyl 9-Benzyl-4,5,6,9-tetrahydropyrrolo[2',3':3,4
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Mol. Formula:
C20H20N2O3

M.W.:
336.39

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4798143

Name:
9-(2-Methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3
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Mol. Formula:
C18H18N2O2

M.W.:
294.35

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
40.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4762893

Name:
Ethyl 9-(2-Methoxybenzyl)-4,5,6,9-tetrahydropyrrol
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Mol. Formula:
C21H22N2O4

M.W.:
366.42

67 activity values

59 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
66.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4762140

Name:
9-Methyl-4,5,6,9-tetrahydropyrrolo[2',3':3,4]cyclo
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Mol. Formula:
C11H12N2O

M.W.:
188.23

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
30.96

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA4760425

Name:
Ethyl 7-Chloro-9-benzyl-4,5,6,9-tetrahydropyrrolo[
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Mol. Formula:
C20H19ClN2O3

M.W.:
370.84

51 activity values

43 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4760067

Name:
Ethyl 7-Chloro-9-(3-methoxybenzyl)-4,5,6,9-tetrahy
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Mol. Formula:
C21H21ClN2O4

M.W.:
400.86

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
66.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4759381

Name:
Ethyl 7-Chloro-9-(2-methoxybenzyl)-4,5,6,9-tetrahy
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Mol. Formula:
C21H21ClN2O4

M.W.:
400.86

10 activity values

2 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
66.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4759321

Name:
9-(3-Methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3
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Mol. Formula:
C18H18N2O2

M.W.:
294.35

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
40.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4788281

Name:
Ethyl 9-(4-Methoxybenzyl)-4,5,6,9-tetrahydropyrrol
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Mol. Formula:
C21H22N2O4

M.W.:
366.42

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
66.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4788137

Name:
Ethyl 9-Methyl-4,5,6,9-tetrahydropyrrolo[2',3':3,4
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Mol. Formula:
C14H16N2O3

M.W.:
260.29

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4749719

Name:
9-(3,4,5-Trimethoxybenzyl)-4,5,6,9-tetrahydropyrro
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Mol. Formula:
C20H22N2O4

M.W.:
354.41

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
58.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4748930

Name:
Ethyl 7-Chloro-9-(2,5-dimethoxybenzyl)-4,5,6,9-tet
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Mol. Formula:
C22H23ClN2O5

M.W.:
430.89

10 activity values

2 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
75.72

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4740725

Name:
Ethyl 9-(2,5-Dimethoxybenzyl)-4,5,6,9-tetrahydropy
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Mol. Formula:
C22H24N2O5

M.W.:
396.44

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
75.72

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4739901

Name:
Ethyl 7-Chloro-9-(4-methoxybenzyl)-4,5,6,9-tetrahy
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Mol. Formula:
C21H21ClN2O4

M.W.:
400.86

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
66.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2442251

Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,
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Mol. Formula:
C128H202N42O43S

M.W.:
3049.34

3 activity values

3 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2442250

Name:
(2S,5S,8S,11S,14S,20S,23S,26S,29S,32S,35S,38S,41S,
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Mol. Formula:
C110H172N32O32S

M.W.:
2486.84

2 activity values

2 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS