Compounds

Type:
Small molecule

AlogP:
-0.04

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4113455

Name:
US9181184, 15

Mol. Formula:
C11H22N2O6

M.W.:
278.31

Type:
Small molecule

AlogP:
-2.56

Polar Surface Area:
113.70

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4112334

Name:
US9181184, 20

Mol. Formula:
C9H19NO5

M.W.:
221.25

Type:
Small molecule

AlogP:
-2.61

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4111971

Name:
US9181184, 24

Mol. Formula:
C15H17F3N2O4

M.W.:
346.31

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
88.52

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4111342

Name:
US9181184, 21

Mol. Formula:
C10H21NO5

M.W.:
235.28

Type:
Small molecule

AlogP:
-2.22

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4109760

Name:
US9181184, 27

Mol. Formula:
C17H27NO5

M.W.:
325.41

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4109259

Name:
US9181184, 16

Mol. Formula:
C17H32N2O6

M.W.:
360.45

Type:
Small molecule

AlogP:
-0.61

Polar Surface Area:
113.70

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4108888

Name:
US9181184, 17::US9181184, 18

Mol. Formula:
C11H21NO5

M.W.:
247.29

2 activity values

Type:
Small molecule

AlogP:
-2.08

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4108654

Name:
US9181184, 25

Mol. Formula:
C14H18F3NO5

M.W.:
337.29

Type:
Small molecule

AlogP:
-0.16

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4108560

Name:
US9181184, 26

Mol. Formula:
C18H29NO5

M.W.:
339.43

Type:
Small molecule

AlogP:
0.51

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4107593

Name:
US9181184, 19

Mol. Formula:
C10H18F3NO5

M.W.:
289.25

Type:
Small molecule

AlogP:
-1.68

Polar Surface Area:
93.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4107219

Name:
US9181184, 11

Mol. Formula:
C10H19NO4

M.W.:
217.26

Type:
Small molecule

AlogP:
-1.84

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2207959

Name:
[2-(4-Bromorophenyl)-8-methoxy-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-yliShow More⌵

Mol. Formula:
C19H12BrN3OS

M.W.:
410.30

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2207958

Name:
[8-Ethoxy-2-phenyl-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-yliden]acetonitShow More⌵

Mol. Formula:
C20H15N3OS

M.W.:
345.43

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2207957

Name:
[8-Methoxy-2-phenyl-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-yliden]acetoniShow More⌵

Mol. Formula:
C19H13N3OS

M.W.:
331.40

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2207956

Name:
[8-Methoxy-2-(4-methylphenyl)-4Hbenzo[d]pyrimido[2,1-b][1,3]thiazol-4-ylideShow More⌵

Mol. Formula:
C20H15N3OS

M.W.:
345.43

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2207955

Name:
[2-(4-Methylphenyl)-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-yliden]acetoniShow More⌵

Mol. Formula:
C19H13N3S

M.W.:
315.40

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
39.39

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2207954

Name:
[2-(4-Chlorophenyl)-8-methoxy-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-ylidShow More⌵

Mol. Formula:
C19H12ClN3OS

M.W.:
365.85

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2207953

Name:
[8-Methoxy-2-(2-naphthyl)-4H-benzo[d]pyrimido[2,1-b][1,3]thiazol-4-yliden]aShow More⌵

Mol. Formula:
C23H15N3OS

M.W.:
381.46

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
48.62

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2207952

Name:
[2-(2-Naphthyl)-4H-benzo[d]pyrimido[2,1b][1,3]thiazol-4yliden]acetonitrile

Mol. Formula:
C22H13N3S

M.W.:
351.43