Compounds

ALA2115108

Name:
3-Methyl-5-[3-(quinolin-2-ylmethoxy)-phenyl]-oxazolidin-2-one

Mol. Formula:
C20H18N2O3

M.W.:
334.38

16 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
51.66

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2114390

Name:
(Z) 3-[(2-Carboxy-ethylsulfanyl)-(2-dodec-1-enyl-phenyl)-methylsulfanyl]-prShow More⌵

Mol. Formula:
C25H38O4S2

M.W.:
466.71

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.65

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2114032

Name:
3-Methyl-5-[3-(quinolin-2-ylmethoxy)-phenyl]-oxazolidin-2-one

Mol. Formula:
C20H18N2O3

M.W.:
334.38

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
51.66

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA174645

Name:
2,2-Diethyl-N-[3-(quinolin-2-yloxymethyl)-phenyl]-succinamic acid

Mol. Formula:
C24H26N2O4

M.W.:
406.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA177814

Name:
2,2-Diethyl-N-[3-(8-fluoro-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C24H25FN2O4

M.W.:
424.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA369421

Name:
N-[3-(6,7-Difluoro-quinolin-2-ylmethoxy)-phenyl]-2,2-diethyl-succinamic aciShow More⌵

Mol. Formula:
C24H24F2N2O4

M.W.:
442.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA178049

Name:
1-{[3-(7-Fluoro-quinolin-2-ylmethoxy)-phenylcarbamoyl]-methyl}-cyclopentaneShow More⌵

Mol. Formula:
C24H23FN2O4

M.W.:
422.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA362228

Name:
1-{[3-(7-Fluoro-quinolin-2-ylmethoxy)-phenylcarbamoyl]-methyl}-cyclohexanecShow More⌵

Mol. Formula:
C25H25FN2O4

M.W.:
436.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA176412

Name:
3-Ethyl-3-[3-(7-fluoro-quinolin-2-ylmethoxy)-phenylcarbamoyl]-pentanoic aciShow More⌵

Mol. Formula:
C24H25FN2O4

M.W.:
424.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA174743

Name:
2,2-Diethyl-N-[3-(7-fluoro-quinolin-2-ylmethylsulfanyl)-phenyl]-succinamic Show More⌵

Mol. Formula:
C24H25FN2O3S

M.W.:
440.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA368666

Name:
2,2-Diethyl-N-[3-(6-fluoro-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C24H25FN2O4

M.W.:
424.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA368001

Name:
N-[3-(6,7-Dimethyl-quinolin-2-ylmethoxy)-phenyl]-2,2-diethyl-succinamic aciShow More⌵

Mol. Formula:
C26H30N2O4

M.W.:
434.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA174440

Name:
2,2-Diethyl-N-[3-(6-methyl-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C25H28N2O4

M.W.:
420.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA174687

Name:
N-[3-(7,8-Dihydro-6H-cyclopenta[g]quinolin-2-ylmethoxy)-phenyl]-2,2-diethylShow More⌵

Mol. Formula:
C27H30N2O4

M.W.:
446.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA425675

Name:
2,2-Diethyl-N-{3-[(E)-2-(7-fluoro-quinolin-2-yl)-vinyl]-phenyl}-succinamic Show More⌵

Mol. Formula:
C25H25FN2O3

M.W.:
420.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
79.29

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA175119

Name:
N-[3-(7-Chloro-quinolin-2-ylmethoxy)-phenyl]-2,2-diethyl-succinamic acid

Mol. Formula:
C24H25ClN2O4

M.W.:
440.93

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA426941

Name:
2,2-Diethyl-N-[3-(7-methoxy-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C25H28N2O5

M.W.:
436.51

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
97.75

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA174544

Name:
N-[3-(7-Acetyl-quinolin-2-ylmethoxy)-phenyl]-2,2-diethyl-succinamic acid

Mol. Formula:
C26H28N2O5

M.W.:
448.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
105.59

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA368290

Name:
2,2-Diethyl-N-[3-(5-fluoro-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C24H25FN2O4

M.W.:
424.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA178221

Name:
2,2-Diethyl-N-[3-(7-fluoro-quinolin-2-ylmethoxy)-phenyl]-succinamic acid

Mol. Formula:
C24H25FN2O4

M.W.:
424.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS