Compounds

ALA3699817

Name:
US8993568, 16

Mol. Formula:
C20H26N2O3S

M.W.:
374.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3699816

Name:
US8993568, 14

Mol. Formula:
C20H22F4N2O3S

M.W.:
446.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3699815

Name:
US8993568, 11

Mol. Formula:
C21H25F3N2O3S

M.W.:
442.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3699814

Name:
US8993568, 5

Mol. Formula:
C20H22ClF3N2O3S

M.W.:
462.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3699813

Name:
BDBM152808::US8993568, 2

Mol. Formula:
C20H25FN2O3S

M.W.:
392.50

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3655074

Name:
US9035059, 26-1

Mol. Formula:
C30H39FN2O4S

M.W.:
542.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3655073

Name:
US9035059, 25-2

Mol. Formula:
C35H44FN3O2S

M.W.:
589.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.88

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3655072

Name:
US9035059, 25-1

Mol. Formula:
C37H47FN2O2S

M.W.:
602.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.57

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3655071

Name:
US9035059, 24-9/24-10

Mol. Formula:
C30H34F4N4O2S

M.W.:
590.69

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3655070

Name:
US9035059, 24-7/24-8

Mol. Formula:
C33H43FN4O2S

M.W.:
578.80

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.35

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3655069

Name:
US9035059, 24-11::US9035059, 24-5/24-6

Mol. Formula:
C26H35FN2O2S

M.W.:
458.64

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3655068

Name:
US9035059, 24-3/24-4

Mol. Formula:
C31H35F4N3O2S

M.W.:
589.70

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.67

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3655067

Name:
US9035059, 23-6

Mol. Formula:
C32H37F4N3O3S

M.W.:
619.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3655066

Name:
US9035059, 23-3

Mol. Formula:
C34H44FN3O2S

M.W.:
577.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.95

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3655065

Name:
US9035059, 23-2

Mol. Formula:
C37H44FN3O3S

M.W.:
629.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.23

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3655064

Name:
US9035059, 23-1::US9035059, 24-1/24-2

Mol. Formula:
C34H44FN3O2S

M.W.:
577.81

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.95

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3655063

Name:
US9035059, 22-2

Mol. Formula:
C32H36F4N2O3S

M.W.:
604.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.64

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3655062

Name:
US9035059, 20-4

Mol. Formula:
C35H46FN3O2S

M.W.:
591.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.13

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3655061

Name:
US9035059, 20-3

Mol. Formula:
C36H47FN2O4S

M.W.:
622.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.50

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3655060

Name:
US9035059, 20-2

Mol. Formula:
C37H49FN2O2S

M.W.:
604.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.82

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS