Compounds

ALA4800371

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-2-(trifluoromethoxy)benzenShow More⌵

Mol. Formula:
C18H17F4N3O4S

M.W.:
447.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
114.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4799509

Name:
rac-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-benzenesulfonamide

Mol. Formula:
C17H18FN3O3S

M.W.:
363.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4797312

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-4-chloro-2-(trifluoromethyShow More⌵

Mol. Formula:
C18H16ClF4N3O3S

M.W.:
465.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4797224

Name:
rac-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-2,4-dichloro-N-nethylbenzeShow More⌵

Mol. Formula:
C18H18Cl2FN3O3S

M.W.:
446.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
96.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4795311

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-2-(trifluoromethyl)benzeneShow More⌵

Mol. Formula:
C18H17F4N3O3S

M.W.:
431.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4794809

Name:
N-(3-Amino-4-(3-chlorophenoxy)butyl)-2,4-dichlorobenzenesulfonamide

Mol. Formula:
C16H17Cl3N2O3S

M.W.:
423.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
81.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4790603

Name:
rac-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-4-chlorobenzenesulfonamide

Mol. Formula:
C17H17ClFN3O3S

M.W.:
397.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4789107

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-2-methoxybenzenesulfonamidShow More⌵

Mol. Formula:
C18H20FN3O4S

M.W.:
393.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
114.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4788545

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-4-(trifluoromethyl)benzeneShow More⌵

Mol. Formula:
C18H17F4N3O3S

M.W.:
431.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4788203

Name:
rac-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-3-chlorobenzenesulfonamide

Mol. Formula:
C17H17ClFN3O3S

M.W.:
397.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4787004

Name:
N-(3-Amino-4-(4-cyanophenoxy)butyl)-2,4-dichlorobenzenesulfonamide

Mol. Formula:
C17H17Cl2N3O3S

M.W.:
414.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4784771

Name:
(S)-N-(3-Amino-4-(2-amino-5-cyanophenoxy)butyl)-2,4-dichlorobenzenesulfonamShow More⌵

Mol. Formula:
C17H18Cl2N4O3S

M.W.:
429.33

8 activity values

3 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
131.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4784636

Name:
N-(3-Amino-4-(3-fluorophenoxy)butyl)-2,4-dichlorobenzenesulfonamide

Mol. Formula:
C16H17Cl2FN2O3S

M.W.:
407.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
81.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4782089

Name:
N-(3-Amino-4-(2-cyanophenoxy)butyl)-2,4-dichlorobenzenesulfonamide

Mol. Formula:
C17H17Cl2N3O3S

M.W.:
414.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4777668

Name:
(S)-N-(3-Amino-4-(2-chloro-5-cyanophenoxy)butyl)-2,4-dichlorobenzenesulfonaShow More⌵

Mol. Formula:
C17H16Cl3N3O3S

M.W.:
448.76

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4765224

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-4-cyanobenzenesulfonamide

Mol. Formula:
C18H17FN4O3S

M.W.:
388.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
129.00

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4763693

Name:
(S)-N-(3-Amino-4-(5-cyano-2-methoxyphenoxy)butyl)-2,4-dichlorobenzenesulfonShow More⌵

Mol. Formula:
C18H19Cl2N3O4S

M.W.:
444.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
114.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4761250

Name:
(S)-N-(3-Amino-4-(5-cyano-2-fluorophenoxy)butyl)-2,4-dichlorobenzenesulfonaShow More⌵

Mol. Formula:
C17H16Cl2FN3O3S

M.W.:
432.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4757902

Name:
(S)-N-(3-Amino-4-(4-cyano-3-fluorophenoxy)butyl)-[1,1'-biphenyl]-2-sulfonamShow More⌵

Mol. Formula:
C23H22FN3O3S

M.W.:
439.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4755223

Name:
(S)-N-(3-Amino-4-(5-cyano-2-methylphenoxy)butyl)-2,4-dichlorobenzenesulfonaShow More⌵

Mol. Formula:
C18H19Cl2N3O3S

M.W.:
428.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS