Compounds

ALA3211245

Name:
SID26660561

Mol. Formula:
C15H18N4OS

M.W.:
302.40

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
60.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1735272

Name:
SID47194840

Mol. Formula:
C13H11ClN2O

M.W.:
246.70

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
52.89

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA1734041

Name:
SID46500101

Mol. Formula:
C18H14ClN3O2

M.W.:
339.78

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1728041

Name:
SID47194388

Mol. Formula:
C15H11NOS

M.W.:
253.33

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
32.86

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1727095

Name:
SID51090750

Mol. Formula:
C16H19N3O3S

M.W.:
333.41

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
83.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1724140

Name:
SID49823779

Mol. Formula:
C17H15N3O

M.W.:
277.33

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
65.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1723660

Name:
SID26730457

Mol. Formula:
C15H10Cl2FNO3

M.W.:
342.15

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA1721165

Name:
SID74373691

Mol. Formula:
C26H21BrN2O3

M.W.:
489.37

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1719533

Name:
SID47194820

Mol. Formula:
C12H14BrNO

M.W.:
268.15

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA1718343

Name:
SID26730052

Mol. Formula:
C14H9F3N2O2

M.W.:
294.23

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
48.03

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1711060

Name:
SID49646424

Mol. Formula:
C21H21NO5S

M.W.:
399.47

25 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1709744

Name:
SID57261962

Mol. Formula:
C22H23N5O5

M.W.:
437.46

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
144.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1705584

Name:
SID56318195

Mol. Formula:
C21H28N4O5

M.W.:
416.48

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
119.65

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1700836

Name:
SID26661789

Mol. Formula:
C15H10ClN3O

M.W.:
283.72

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
65.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1587506

Name:
SID17513108

Mol. Formula:
C15H16N2OS2

M.W.:
304.44

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
33.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS