Compounds

ALA5198843

Name:
4-nitrophenyl 4-(4-(2-chlorophenoxy)benzene-1-sulfonyl)piperazine-1-carboxyShow More⌵

Mol. Formula:
C23H20ClN3O7S

M.W.:
517.95

2 activity values

2 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
119.29

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5196732

Name:
(Z)-N-(4-(methylsulfonyl)phenyl)-2-(1-phenylethylidene)hydrazine-1-carboxamShow More⌵

Mol. Formula:
C16H17N3O3S

M.W.:
331.40

2 activity values

2 unique targets

Type:
---

AlogP:
2.64

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5196383

Name:
4-nitrophenyl 4-(4-phenoxybenzene-1-sulfonyl)piperazine-1-carboxylate

Mol. Formula:
C23H21N3O7S

M.W.:
483.50

2 activity values

2 unique targets

Type:
---

AlogP:
3.89

Polar Surface Area:
119.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5206035

Name:
(Z)-2-(5-chloro-2-oxoindolin-3-ylidene)-N-(4-(methylsulfonyl)phenyl)hydraziShow More⌵

Mol. Formula:
C16H13ClN4O4S

M.W.:
392.82

5 activity values

4 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
116.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5203537

Name:
4-nitrophenyl 4-(4-(4-chlorophenoxy)benzene-1-sulfonyl)piperazine-1-carboxyShow More⌵

Mol. Formula:
C23H20ClN3O7S

M.W.:
517.95

3 activity values

3 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
119.29

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5202899

Name:
2-(diphenylmethylene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carboxamide

Mol. Formula:
C21H19N3O3S

M.W.:
393.47

2 activity values

2 unique targets

Type:
---

AlogP:
3.66

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5201322

Name:
(Z)-2-(4-hydroxy-3-methoxybenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazinShow More⌵

Mol. Formula:
C16H17N3O5S

M.W.:
363.40

2 activity values

2 unique targets

Type:
---

AlogP:
1.96

Polar Surface Area:
117.09

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5200684

Name:
4-nitrophenyl 4-(4-butylbenzene-1-sulfonyl)piperazine-1-carboxylate

Mol. Formula:
C21H25N3O6S

M.W.:
447.51

8 activity values

5 unique targets

Type:
---

AlogP:
3.44

Polar Surface Area:
110.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5199718

Name:
(Z)-2-(1-(4-fluorophenyl)ethylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-Show More⌵

Mol. Formula:
C16H16FN3O3S

M.W.:
349.39

2 activity values

2 unique targets

Type:
---

AlogP:
2.77

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5199471

Name:
4-nitrophenyl 4-(4-(3,4-dichlorophenoxy)benzene-1-sulfonyl)piperazine-1-carShow More⌵

Mol. Formula:
C23H19Cl2N3O7S

M.W.:
552.39

2 activity values

2 unique targets

Type:
---

AlogP:
5.20

Polar Surface Area:
119.29

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5208247

Name:
(Z)-2-(1-(4-bromophenyl)ethylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1Show More⌵

Mol. Formula:
C16H16BrN3O3S

M.W.:
410.29

2 activity values

2 unique targets

Type:
---

AlogP:
3.40

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5207742

Name:
(Z)-2-(4-fluorobenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carboxaShow More⌵

Mol. Formula:
C15H14FN3O3S

M.W.:
335.36

2 activity values

2 unique targets

Type:
---

AlogP:
2.38

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5195651

Name:
4-nitrophenyl 4-(4-cyclohexylbenzene-1-sulfonyl)piperazine-1-carboxylate

Mol. Formula:
C23H27N3O6S

M.W.:
473.55

2 activity values

2 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
110.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5195403

Name:
(Z)-2-(4-methoxybenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carboxShow More⌵

Mol. Formula:
C16H17N3O4S

M.W.:
347.40

3 activity values

3 unique targets

Type:
---

AlogP:
2.25

Polar Surface Area:
96.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5193719

Name:
(Z)-2-(4-hydroxybenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carboxShow More⌵

Mol. Formula:
C15H15N3O4S

M.W.:
333.37

2 activity values

2 unique targets

Type:
---

AlogP:
1.95

Polar Surface Area:
107.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5193249

Name:
(Z)-2-(1-(4-hydroxyphenyl)ethylidene)-N-(4-(methylsulfonyl)phenyl)hydrazineShow More⌵

Mol. Formula:
C16H17N3O4S

M.W.:
347.40

2 activity values

2 unique targets

Type:
---

AlogP:
2.34

Polar Surface Area:
107.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5192976

Name:
(Z)-2-(1-allyl-2-oxoindolin-3-ylidene)-N-(4-(methylsulfonyl)phenyl)hydrazinShow More⌵

Mol. Formula:
C19H18N4O4S

M.W.:
398.44

2 activity values

2 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
107.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5192320

Name:
(Z)-2-(4-chlorobenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carboxaShow More⌵

Mol. Formula:
C15H14ClN3O3S

M.W.:
351.82

5 activity values

4 unique targets

Type:
---

AlogP:
2.90

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5191646

Name:
(Z)-2-(2,4-dichlorobenzylidene)-N-(4-(methylsulfonyl)phenyl)hydrazine-1-carShow More⌵

Mol. Formula:
C15H13Cl2N3O3S

M.W.:
386.26

2 activity values

2 unique targets

Type:
---

AlogP:
3.55

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5191472

Name:
4-nitrophenyl 4-(3',4'-dichloro[1,1'-biphenyl]-4-sulfonyl)piperazine-1-carbShow More⌵

Mol. Formula:
C23H19Cl2N3O6S

M.W.:
536.39

2 activity values

2 unique targets

Type:
---

AlogP:
5.07

Polar Surface Area:
110.06

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS