Compounds

ALA3987101

Name:
US8487093, 9

Mol. Formula:
C14H18N4O6S

M.W.:
370.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.35

Polar Surface Area:
143.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3984624

Name:
US8487093, 106

Mol. Formula:
C13H21FN4O6S

M.W.:
380.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.80

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3983979

Name:
US8487093, 134

Mol. Formula:
C13H22N4O6S

M.W.:
362.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.67

Polar Surface Area:
133.48

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3981884

Name:
US8487093, 7

Mol. Formula:
C13H16N4O7S

M.W.:
372.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.03

Polar Surface Area:
138.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3972003

Name:
US8487093, 248

Mol. Formula:
C11H16FN3O7S

M.W.:
353.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.16

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3976550

Name:
US8487093, 110

Mol. Formula:
C11H17FN4O6S

M.W.:
352.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.58

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3968922

Name:
US8487093, 2

Mol. Formula:
C13H22N4O6S

M.W.:
362.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.75

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3967936

Name:
US8487093, 204

Mol. Formula:
C11H13N5O6S

M.W.:
343.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
142.03

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3963657

Name:
US8487093, 196

Mol. Formula:
C16H22N6O6S

M.W.:
426.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
144.41

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3963057

Name:
US8487093, 264

Mol. Formula:
C13H21N3O8S

M.W.:
379.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.09

Polar Surface Area:
134.71

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3962320

Name:
US8487093, 1

Mol. Formula:
C12H20N4O6S

M.W.:
348.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.14

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3961606

Name:
US8487093, 18

Mol. Formula:
C13H21N3O7S

M.W.:
363.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.47

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3960469

Name:
US8487093, 118

Mol. Formula:
C14H24N4O7S

M.W.:
392.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.53

Polar Surface Area:
148.51

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3959809

Name:
US8487093, 130

Mol. Formula:
C12H18N4O6S

M.W.:
346.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.68

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3959427

Name:
US8487093, 108

Mol. Formula:
C13H21FN4O6S

M.W.:
380.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.80

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3959010

Name:
US8487093, 104

Mol. Formula:
C16H25N5O7S

M.W.:
431.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.54

Polar Surface Area:
148.59

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3957507

Name:
US8487093, 192

Mol. Formula:
C17H23N5O6S

M.W.:
425.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
141.17

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3956247

Name:
US8487093, 16

Mol. Formula:
C16H20N4O6S

M.W.:
396.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
128.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3951105

Name:
US8487093, 224

Mol. Formula:
C11H17N3O7S

M.W.:
335.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.11

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3949467

Name:
US8487093, 250

Mol. Formula:
C10H15N3O8S

M.W.:
337.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.56

Polar Surface Area:
134.71

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS