Compounds

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
76.78

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4103432

Name:
3-cyano-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide

Mol. Formula:
C17H13N3O3S

M.W.:
339.38

9 activity values

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4099455

Name:
3,4-Dichloro-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide

Mol. Formula:
C16H12Cl2N2O3S

M.W.:
383.26

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4099171

Name:
rac-1,3-Dioxo-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,Show More⌵

Mol. Formula:
C23H16N4O3

M.W.:
396.41

5 activity values

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
88.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4095325

Name:
4-cyano-N-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamShow More⌵

Mol. Formula:
C18H15N3O3S

M.W.:
353.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
83.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4092917

Name:
rac-6-(Piperidin-1-yl)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazolShow More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
67.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4091912

Name:
rac-6-{Methyl[2-(pyrrolidin-1-yl)ethyl]amino}-2-(1,3,6-trimethyl-2-oxo-2,3-Show More⌵

Mol. Formula:
C29H31N5O3

M.W.:
497.60

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
70.79

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4081145

Name:
rac-5-Bromo-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-1H-bShow More⌵

Mol. Formula:
C22H16BrN3O3

M.W.:
450.29

5 activity values

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
64.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4080780

Name:
rac-2-(6-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-1H-beShow More⌵

Mol. Formula:
C22H17N3O4

M.W.:
387.40

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
73.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4077619

Name:
2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-1H-benzo[de]isoShow More⌵

Mol. Formula:
C21H15N3O3

M.W.:
357.37

9 activity values

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
64.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4076067

Name:
rac-6-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-(1,3,6-trimethyl-2-oxo-2,3-diShow More⌵

Mol. Formula:
C30H31N5O3

M.W.:
509.61

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
70.79

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4072812

Name:
rac-6-(4-Methylpiperazin-1-yl)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzShow More⌵

Mol. Formula:
C27H27N5O3

M.W.:
469.55

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
70.79

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4070377

Name:
2-cyano-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide

Mol. Formula:
C17H13N3O3S

M.W.:
339.38

9 activity values

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4067968

Name:
rac-6-(Morpholin-4-yl)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazolShow More⌵

Mol. Formula:
C26H24N4O4

M.W.:
456.50

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
76.78

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4065133

Name:
rac-6-(4-Hydroxypiperidin-1-yl)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benShow More⌵

Mol. Formula:
C27H26N4O4

M.W.:
470.53

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
87.78

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4064164

Name:
rac-6-{4-[2-(Dimethylamino)ethyl]piperazin-1-yl}-2-(1,3,6,-trimethyl-2-oxo-Show More⌵

Mol. Formula:
C30H34N6O3

M.W.:
526.64

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
74.03

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4063112

Name:
rac-6-(Pyrrolidin-1-yl)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazoShow More⌵

Mol. Formula:
C26H24N4O3

M.W.:
440.50

6 activity values

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
67.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4062266

Name:
rac-6-(Propylamino)-2-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-Show More⌵

Mol. Formula:
C25H24N4O3

M.W.:
428.49