Compounds

ALA2115091

Name:
(S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluoro-biphenyl-4-yl)-1-methylShow More⌵

Mol. Formula:
C28H26Cl2FNO5

M.W.:
546.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2112799

Name:
2-{2-[7-Chloro-5-(2,3-dimethoxy-phenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2Show More⌵

Mol. Formula:
C27H33ClN2O8

M.W.:
549.02

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
134.63

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2111970

Name:
2-{2-[7-Chloro-5-(2,3-dimethoxy-phenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2Show More⌵

Mol. Formula:
C27H33ClN2O8

M.W.:
549.02

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
134.63

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1778343

Name:
1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopropyl-4H,6H-2,5-dioxaShow More⌵

Mol. Formula:
C30H33ClN2O7

M.W.:
569.05

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
111.33

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1761664

Name:
1-(2-((1R,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-isobutyl-2-oxo-4,5-dihydroShow More⌵

Mol. Formula:
C30H37ClN2O6

M.W.:
557.09

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
96.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1761663

Name:
1-(2-((1S,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-isobutyl-2-oxo-4,5-dihydroShow More⌵

Mol. Formula:
C30H37ClN2O6

M.W.:
557.09

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
96.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1761662

Name:
trans-rac-1-(2-(7-chloro-5-(2,3-dimethoxyphenyl)-1-isobutyl-2-oxo-4,5-dihydShow More⌵

Mol. Formula:
C30H37ClN2O6

M.W.:
557.09

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
96.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1761661

Name:
trans-rac-1-(2-(7-chloro-1-isobutyl-5-(2-methoxyphenyl)-2-oxo-4,5-dihydro-1Show More⌵

Mol. Formula:
C29H35ClN2O5

M.W.:
527.06

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1761660

Name:
trans-rac-7-chloro-1-isobutyl-5-(2-methoxyphenyl)-3-(2-oxo-2-(piperidin-1-yShow More⌵

Mol. Formula:
C28H35ClN2O3

M.W.:
483.05

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1761659

Name:
trans-rac-1-(2-(7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydro-1HShow More⌵

Mol. Formula:
C28H32Cl2N2O4

M.W.:
531.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
77.92

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1761658

Name:
trans-rac-2-(1-(2-(7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydroShow More⌵

Mol. Formula:
C29H34Cl2N2O4

M.W.:
545.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
77.92

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1761657

Name:
trans-rac-6-(2-(7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydro-1HShow More⌵

Mol. Formula:
C28H34Cl2N2O4

M.W.:
533.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
86.71

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1761656

Name:
trans-rac-2-(7-chloro-5-(2,3-dimethoxyphenyl)-1-isobutyl-2-oxo-4,5-dihydro-Show More⌵

Mol. Formula:
C24H28ClNO5

M.W.:
445.94

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1761655

Name:
trans-rac-2-(5-(2-methoxyphenyl)-7-chloro-1-isobutyl-2-oxo-4,5-dihydro-1H-bShow More⌵

Mol. Formula:
C23H26ClNO4

M.W.:
415.92

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1761654

Name:
trans-rac-2-(5-(2-bromophenyl)-7-chloro-1-isobutyl-2-oxo-4,5-dihydro-1H-benShow More⌵

Mol. Formula:
C22H23BrClNO3

M.W.:
464.79

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1761653

Name:
trans-rac-2-(7-chloro-1-isobutyl-2-oxo-5-phenyl-4,5-dihydro-1H-benzo[d]azepShow More⌵

Mol. Formula:
C22H24ClNO3

M.W.:
385.89

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1761652

Name:
trans-rac-2-(1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-4,5-dihydro-1H-benzShow More⌵

Mol. Formula:
C25H21Cl2NO3

M.W.:
454.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1761651

Name:
trans-rac-2-(7-chloro-5-(2-chlorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoShow More⌵

Mol. Formula:
C22H23Cl2NO4

M.W.:
436.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
77.84

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1761650

Name:
trans-rac-2-(7-chloro-5-(2-chlorophenyl)-1-(2-methylallyl)-2-oxo-4,5-dihydrShow More⌵

Mol. Formula:
C22H21Cl2NO3

M.W.:
418.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1761649

Name:
trans-rac-2-(5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azeShow More⌵

Mol. Formula:
C22H24ClNO3

M.W.:
385.89

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS