Compounds

ALA4792862

Name:
4-chloro-5-(4-fluoro-2-methylphenylamino)-6-(4-(4-fluorophenyl)piperidine-1Show More⌵

Mol. Formula:
C24H24ClF2N5O2S

M.W.:
520.00

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
112.17

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4776167

Name:
NA

Mol. Formula:
C31H28ClF2N5O3S

M.W.:
624.11

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.63

Polar Surface Area:
117.75

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4742094

Name:
4-chloro-N'-(ethylcarbamoyl)-5-(4-fluoro-2-methylphenylamino)-6-(4-(4-fluorShow More⌵

Mol. Formula:
C27H29ClF2N6O3S

M.W.:
591.08

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
129.78

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3979967

Name:
4-amino-3,5-dichloro-N-(4-(5-chloro-1H-pyrazol-1-yl)-1-(4-methylpiperidin-1Show More⌵

Mol. Formula:
C19H24Cl3N5O3S

M.W.:
508.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
110.32

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3979899

Name:
4-(2-cyano-1H-pyrrol-1-yl)-2-(1H-indole-4-sulfonamido)-N,N-dimethylbutanamiShow More⌵

Mol. Formula:
C19H21N5O3S

M.W.:
399.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
110.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3975141

Name:
N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl)naShow More⌵

Mol. Formula:
C25H28N4O3S

M.W.:
464.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
95.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3973467

Name:
4-amino-3,5-dichloro-N-(1-(4-methylpiperidin-1-yl)-1-oxo-4-(1H-1,2,4-triazoShow More⌵

Mol. Formula:
C18H24Cl2N6O3S

M.W.:
475.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
123.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3971886

Name:
N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl)-1Show More⌵

Mol. Formula:
C23H27N5O3S

M.W.:
453.57

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
110.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3971826

Name:
N-(4-(2-cyano-1H-pyrrol-1-yl)-1-oxo-1-(piperidin-1-yl)butan-2-yl)-1H-indoleShow More⌵

Mol. Formula:
C22H25N5O3S

M.W.:
439.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
110.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3969321

Name:
4-amino-3,5-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-oxo-1-(piperidin-1-yl)Show More⌵

Mol. Formula:
C20H23Cl2N5O3S

M.W.:
484.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3964878

Name:
(S)-4-amino-3,5-dichloro-N-(1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-Show More⌵

Mol. Formula:
C22H27Cl2N3O3S

M.W.:
484.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
92.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3964547

Name:
4-amino-3,5-dichloro-N-(4-(2-chloro-1H-imidazol-1-yl)-1-(4-methylpiperidin-Show More⌵

Mol. Formula:
C19H24Cl3N5O3S

M.W.:
508.86

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
110.32

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3960764

Name:
4-amino-2,5-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidin-1-yShow More⌵

Mol. Formula:
C21H25Cl2N5O3S

M.W.:
498.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3960700

Name:
N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl)-Show More⌵

Mol. Formula:
C22H25N5O4S

M.W.:
455.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
131.22

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3959737

Name:
2-amino-4,6-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidin-1-yShow More⌵

Mol. Formula:
C21H25Cl2N5O3S

M.W.:
498.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3958582

Name:
(S)-4-amino-3,5-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidinShow More⌵

Mol. Formula:
C21H25Cl2N5O3S

M.W.:
498.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3955499

Name:
4-amino-3,5-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(3-methylpiperidin-1-yShow More⌵

Mol. Formula:
C21H25Cl2N5O3S

M.W.:
498.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3951650

Name:
4-amino-3,5-dichloro-N-(4-(2-cyano-1H-imidazol-1-yl)-1-(4-methylpiperidin-1Show More⌵

Mol. Formula:
C20H24Cl2N6O3S

M.W.:
499.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
134.11

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3951018

Name:
4-amino-3,5-dichloro-N-(4-(2-cyano-1H-pyrrol-1-yl)-1-(4-methylpiperidin-1-yShow More⌵

Mol. Formula:
C21H25Cl2N5O3S

M.W.:
498.44

44 activity values

24 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
121.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3950532

Name:
4-amino-3,5-dichloro-N-(1-(4-methylpiperidin-1-yl)-1-oxo-4-(1H-1,2,3-triazoShow More⌵

Mol. Formula:
C18H24Cl2N6O3S

M.W.:
475.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
123.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS