Compounds

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
83.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4467567

Name:
N'-(5-fluoro-2-oxoindolin-3-ylidene)-5-nitrobenzofuran-2-carbohydrazide

Mol. Formula:
C17H9FN4O5

M.W.:
368.28

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
126.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4451227

Name:
N'-(2-oxo-1-phenylindolin-3-ylidene)benzofuran-2-carbohydrazide

Mol. Formula:
C23H15N3O3

M.W.:
381.39

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
74.91

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4442121

Name:
N'-(5-nitro-2-oxoindolin-3-ylidene)benzofuran-2-carbohydrazide

Mol. Formula:
C17H10N4O5

M.W.:
350.29

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
126.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4439530

Name:
N'-(5-chloro-2-oxoindolin-3-ylidene)benzofuran-2-carbohydrazide

Mol. Formula:
C17H10ClN3O3

M.W.:
339.74

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
83.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4243541

Name:
2-(4-fluorophenyl)-5-methoxy-1H-benzo[d]imidazole

Mol. Formula:
C14H11FN2O

M.W.:
242.25

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
37.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4239753

Name:
2-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-benzo[d]Show More⌵

Mol. Formula:
C22H16N2O4

M.W.:
372.38

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
54.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4237298

Name:
2-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-methoxy-1Show More⌵

Mol. Formula:
C23H18N2O5

M.W.:
402.41

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
63.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3885470

Name:
2-(4-(4-methylbenzyl)piperazin-1-yl)-6-nitro-4H-benzo[e][1,3]thiazin-4-one

Mol. Formula:
C20H20N4O3S

M.W.:
396.47

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
79.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3885446

Name:
1-(2-(4-(benzylamino)piperazin-1-yl)ethyl)-5-methoxyindoline-2,3-dione

Mol. Formula:
C22H26N4O3

M.W.:
394.48

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
65.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3885427

Name:
2-(4-(4-nitrobenzyl)piperazin-1-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiShow More⌵

Mol. Formula:
C20H17F3N4O3S

M.W.:
450.44

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
79.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3885407

Name:
1-(2-(4-(benzylamino)piperazin-1-yl)ethyl)-5-chloroindoline-2,3-dione

Mol. Formula:
C21H23ClN4O2

M.W.:
398.89

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
55.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3885381

Name:
1-(2-(4-(2-(trifluoromethyl)benzylamino)piperazin-1-yl)ethyl)indoline-2,3-dShow More⌵

Mol. Formula:
C22H23F3N4O2

M.W.:
432.45

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
55.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3885298

Name:
1-(2-(4-(2-methoxybenzylamino)piperazin-1-yl)ethyl)-5-methylindoline-2,3-diShow More⌵

Mol. Formula:
C23H28N4O3

M.W.:
408.50

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
65.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3885295

Name:
4-(6-chloro-4-oxo-4H-benzo[e][1,3]thiazin-2-yl)-N-(4-chlorophenyl)piperazinShow More⌵

Mol. Formula:
C19H16Cl2N4OS2

M.W.:
451.40

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
48.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3885289

Name:
1-(2-(4-(2-(benzyloxy)benzylamino)piperazin-1-yl)ethyl)indoline-2,3-dione

Mol. Formula:
C28H30N4O3

M.W.:
470.57

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
65.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3885269

Name:
6-chloro-2-(4-(4-chlorobenzyl)piperazin-1-yl)-4H-benzo[e][1,3]thiazin-4-one

Mol. Formula:
C19H17Cl2N3OS

M.W.:
406.34

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
36.44

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3885263

Name:
4-(6-chloro-4-oxo-4H-benzo[e][1,3]thiazin-2-yl)-N-(4-nitrophenyl)piperazineShow More⌵

Mol. Formula:
C19H16ClN5O4S

M.W.:
445.89

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
108.68

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3885251

Name:
1-(2-(4-(2-(benzyloxy)benzylamino)piperazin-1-yl)ethyl)-5-chloroindoline-2,Show More⌵

Mol. Formula:
C28H29ClN4O3

M.W.:
505.02

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
65.12

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3885240

Name:
2-((4-fluorophenyl)diazenyl)benzo[g]quinoxaline

Mol. Formula:
C18H11FN4

M.W.:
302.31