Compounds

ALA4800665

Name:
(R)-3-((4-(2-(diethylamino)ethylcarbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)methShow More⌵

Mol. Formula:
C31H37N5O3

M.W.:
527.67

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
106.33

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4799210

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(1-(Show More⌵

Mol. Formula:
C27H26Cl2N4O3

M.W.:
525.44

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4798127

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(1-(Show More⌵

Mol. Formula:
C27H26Cl2N4O3

M.W.:
525.44

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4798092

Name:
(R)-3-((4-(but-3-enylcarbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxShow More⌵

Mol. Formula:
C29H30N4O3

M.W.:
482.58

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4796861

Name:
(R)-3-((3,5-dimethyl-4-(vinylsulfonamido)-1H-pyrrol-2-yl)methylene)-2-oxo-NShow More⌵

Mol. Formula:
C26H26N4O4S

M.W.:
490.59

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
120.16

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4796154

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo-Show More⌵

Mol. Formula:
C28H29ClN4O3

M.W.:
505.02

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4796116

Name:
(R)-3-((3,5-dimethyl-4-nitro-1H-pyrrol-2-yl)methylene)-2-oxo-N-(1-phenylethShow More⌵

Mol. Formula:
C24H22N4O4

M.W.:
430.46

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
117.13

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4794588

Name:
3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(2-methyShow More⌵

Mol. Formula:
C28H29ClN4O3

M.W.:
505.02

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4794078

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo-Show More⌵

Mol. Formula:
C28H29ClN4O3

M.W.:
505.02

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4793010

Name:
3-((4-((E)-4-(dimethylamino)but-2-enamido)-3,5-dimethyl-1H-pyrrol-2-yl)methShow More⌵

Mol. Formula:
C30H33N5O3

M.W.:
511.63

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
106.33

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4791260

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo-Show More⌵

Mol. Formula:
C26H25ClN4O3

M.W.:
476.96

12 activity values

4 unique targets

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4791163

Name:
3-((3,5-dimethyl-4-(oxirane-2-carboxamido)-1H-pyrrol-2-yl)methylene)-2-oxo-Show More⌵

Mol. Formula:
C27H26N4O4

M.W.:
470.53

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
115.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4789095

Name:
(S)-3-((4-(2-(diethylamino)ethylcarbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)methShow More⌵

Mol. Formula:
C31H37N5O3

M.W.:
527.67

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
106.33

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4788756

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo-Show More⌵

Mol. Formula:
C25H24ClN5O3

M.W.:
477.95

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
115.98

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4787507

Name:
3-((4-(3-chloro-2-hydroxypropanamido)-3,5-dimethyl-1H-pyrrol-2-yl)methyleneShow More⌵

Mol. Formula:
C27H27ClN4O4

M.W.:
506.99

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
123.32

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4786913

Name:
3-((4-((E)-2-cyano-4,4-dimethylpent-2-enamido)-3,5-dimethyl-1H-pyrrol-2-yl)Show More⌵

Mol. Formula:
C32H33N5O3

M.W.:
535.65

5 activity values

3 unique targets

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
126.88

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4786846

Name:
N-(3-benzyloxetan-3-yl)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-Show More⌵

Mol. Formula:
C28H27ClN4O4

M.W.:
519.00

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
112.32

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4786599

Name:
(R)-3-((4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(1-(Show More⌵

Mol. Formula:
C27H26ClFN4O3

M.W.:
508.98

10 activity values

4 unique targets

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4786185

Name:
(R)-3-((4-(but-3-ynylcarbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxShow More⌵

Mol. Formula:
C29H28N4O3

M.W.:
480.57

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4785430

Name:
(R)-3-((4-(2-bromoacetamido)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo-NShow More⌵

Mol. Formula:
C26H25BrN4O3

M.W.:
521.42

12 activity values

5 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS