Compounds

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
146.68

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3212237

Name:
SID14724082

Mol. Formula:
C15H19N3O

M.W.:
257.34

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3212178

Name:
SID22412181

Mol. Formula:
C14H14BrN3O4S

M.W.:
400.25

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
91.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3210278

Name:
SID3711412

Mol. Formula:
C13H13Cl2N3O2S

M.W.:
346.24

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
61.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3209676

Name:
SID47199289

Mol. Formula:
C17H14N6O

M.W.:
318.34

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
88.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3209514

Name:
SID24791580

Mol. Formula:
C21H16BrN3O2

M.W.:
422.28

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3208731

Name:
SID861495

Mol. Formula:
C12H13N3O

M.W.:
215.26

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
50.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3187074

Name:
SID104223845

Mol. Formula:
C23H17ClN4O5

M.W.:
464.87

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
120.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3186144

Name:
SID104219759

Mol. Formula:
C21H16BrN3O

M.W.:
406.28

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3185059

Name:
SID104223878

Mol. Formula:
C25H20N6O4

M.W.:
468.47

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
136.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3184370

Name:
SID124398493

Mol. Formula:
C13H13N3O2

M.W.:
243.27

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3183061

Name:
SID104223897

Mol. Formula:
C23H16FN3O5S

M.W.:
465.46

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
108.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3181938

Name:
SID104224087

Mol. Formula:
C18H14N2O2S

M.W.:
322.39

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3181852

Name:
SID104223918

Mol. Formula:
C22H15BrN2O4S

M.W.:
483.34

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
79.61

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2369343

Name:
SID89850537

Mol. Formula:
C15H16N2O3S

M.W.:
304.37

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
94.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1992564

Name:
SID99494336

Mol. Formula:
C30H31N5O7S

M.W.:
605.67

35 activity values

23 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
98.33

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1906670

Name:
SID24789458

Mol. Formula:
C14H17N3O6

M.W.:
323.31

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
111.96

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1906314

Name:
SID99495212

Mol. Formula:
C15H16N4O5S

M.W.:
364.38