Compounds

ALA5089352

Name:
4-(dipropylamino)-3-methoxybenzaldehyde

Mol. Formula:
C14H21NO2

M.W.:
235.33

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5088513

Name:
4-(dipropylamino)-3-methylbenzaldehyde

Mol. Formula:
C14H21NO

M.W.:
219.33

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5076191

Name:
4-(diethylamino)-3-nitrobenzaldehyde

Mol. Formula:
C11H14N2O3

M.W.:
222.24

6 activity values

5 unique targets

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
63.45

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4115065

Name:
US9320722, 19

Mol. Formula:
C22H29N5O5S

M.W.:
475.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
133.68

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4113853

Name:
US9320722, 5

Mol. Formula:
C15H14F3N3O4S

M.W.:
389.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
92.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4113038

Name:
US9320722, 17

Mol. Formula:
C16H16N2O4S

M.W.:
332.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4112856

Name:
US9320722, CB29

Mol. Formula:
C15H15N3O5S

M.W.:
349.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
118.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4112246

Name:
US9320722, 8

Mol. Formula:
C14H13FN2O4S

M.W.:
324.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4112008

Name:
US9320722, 20

Mol. Formula:
C15H11F3N2O6S

M.W.:
404.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
115.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4111180

Name:
US9320722, 11

Mol. Formula:
C14H13F2N3O5S

M.W.:
373.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
110.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4110595

Name:
US9320722, 2

Mol. Formula:
C13H12FN3O4S

M.W.:
325.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
101.34

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4109506

Name:
US9320722, 12

Mol. Formula:
C17H19N3O5S

M.W.:
377.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
118.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4109466

Name:
US9320722, 13

Mol. Formula:
C18H22N4O5S

M.W.:
406.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
130.44

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4109146

Name:
US9320722, CB2

Mol. Formula:
C13H10F2N2O2

M.W.:
264.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4108422

Name:
US9320722, 18

Mol. Formula:
C18H21N3O4S

M.W.:
375.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
101.34

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4107656

Name:
US9320722, 9

Mol. Formula:
C18H24N4O4S

M.W.:
392.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
113.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4107190

Name:
US9320722, 10

Mol. Formula:
C14H15N3O5S

M.W.:
337.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
110.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3969041

Name:
US9320722, CB1

Mol. Formula:
C11H12ClNOS

M.W.:
241.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
33.02

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3953810

Name:
CB29 (derivative 14)::US9320722, 14

Mol. Formula:
C20H26N4O5S

M.W.:
434.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
121.65

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3926462

Name:
US9320722, CB12

Mol. Formula:
C14H19NO3

M.W.:
249.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS