Compounds

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
89.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3188071

Name:
SID136349421

Mol. Formula:
C22H21F2N3O2

M.W.:
397.43

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
52.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3186593

Name:
SID136349422

Mol. Formula:
C21H19F2N3O2

M.W.:
383.40

12 activity values

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
52.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3186570

Name:
SID144221521

Mol. Formula:
C17H13NO5S

M.W.:
343.36

17 activity values

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3186241

Name:
SID136349429

Mol. Formula:
C20H17ClN2O2

M.W.:
352.82

9 activity values

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
49.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3185841

Name:
SID136349457

Mol. Formula:
C17H9F3N2O4

M.W.:
362.26

14 activity values

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3185741

Name:
SID135724464

Mol. Formula:
C14H10N2O4S2

M.W.:
334.38

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
106.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3185661

Name:
SID136349418

Mol. Formula:
C23H24FN3O2

M.W.:
393.46

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
52.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3185552

Name:
SID136349437

Mol. Formula:
C17H13NO2

M.W.:
263.30

7 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3185543

Name:
SID135659568

Mol. Formula:
C19H18BrN3O4S2

M.W.:
496.41

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
86.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3185242

Name:
SID136349407

Mol. Formula:
C20H17ClN2O2

M.W.:
352.82

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
49.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3185103

Name:
SID136349423

Mol. Formula:
C23H23F2N3O2

M.W.:
411.45

12 activity values

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
52.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3184898

Name:
SID135724462

Mol. Formula:
C16H12N2O4S

M.W.:
328.35

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
106.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3184792

Name:
SID135659573

Mol. Formula:
C17H12N2O3

M.W.:
292.29

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
89.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3184626

Name:
SID135724463

Mol. Formula:
C16H11BrN2O4S

M.W.:
407.25

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
106.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3184406

Name:
SID135611195

Mol. Formula:
C23H23N3O3

M.W.:
389.46

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3184099

Name:
SID135724473

Mol. Formula:
C16H10BrNO4S

M.W.:
392.23

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
80.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3183900

Name:
SID135724469

Mol. Formula:
C17H12BrNO5S

M.W.:
422.26

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3183820

Name:
SID135724472

Mol. Formula:
C14H9NO4S2

M.W.:
319.36