Compounds

ALA5306116

Name:
DDD00013839

Mol. Formula:
C15H21BrN2O3S

M.W.:
389.31

Type:
---

AlogP:
2.33

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5306114

Name:
DDD00092374

Mol. Formula:
C15H22N2O3S

M.W.:
310.42

Type:
---

AlogP:
1.80

Polar Surface Area:
80.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5306112

Name:
DDD00097933

Mol. Formula:
C14H18N2O3

M.W.:
262.31

Type:
---

AlogP:
0.73

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5306108

Name:
DDD00019548

Mol. Formula:
C19H26N2O3S

M.W.:
362.50

Type:
---

AlogP:
2.84

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5306107

Name:
DDD00096787

Mol. Formula:
C21H23N3O3S

M.W.:
397.50

Type:
---

AlogP:
2.82

Polar Surface Area:
82.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5306106

Name:
DDD00093622

Mol. Formula:
C16H24N2O3S

M.W.:
324.45

Type:
---

AlogP:
2.06

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5306105

Name:
DDD00096643

Mol. Formula:
C19H23N3O5S3

M.W.:
469.61

Type:
---

AlogP:
1.48

Polar Surface Area:
103.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5306104

Name:
DDD00096534

Mol. Formula:
C17H25N3O3S

M.W.:
351.47

Type:
---

AlogP:
2.11

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5306103

Name:
DDD00075063

Mol. Formula:
C16H25N3O4S

M.W.:
355.46

Type:
---

AlogP:
1.67

Polar Surface Area:
70.16

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5306102

Name:
DDD00092279

Mol. Formula:
C21H23FN6O3

M.W.:
426.45

Type:
---

AlogP:
1.61

Polar Surface Area:
105.40

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5306101

Name:
DDD00058729

Mol. Formula:
C16H20N2O4S3

M.W.:
400.55

Type:
---

AlogP:
2.13

Polar Surface Area:
83.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5306100

Name:
DDD00092315

Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
---

AlogP:
3.06

Polar Surface Area:
91.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5306098

Name:
DDD00096032

Mol. Formula:
C20H17N3O5S2

M.W.:
443.51

Type:
---

AlogP:
3.88

Polar Surface Area:
110.00

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5306097

Name:
DDD00081148

Mol. Formula:
C18H28N2O2S

M.W.:
336.50

Type:
---

AlogP:
2.72

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5306096

Name:
DDD00096028

Mol. Formula:
C15H14Cl2N2O3S2

M.W.:
405.33

Type:
---

AlogP:
3.20

Polar Surface Area:
57.69

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5306094

Name:
DDD00099263

Mol. Formula:
C14H19NO4

M.W.:
265.31

Type:
---

AlogP:
2.41

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5306093

Name:
DDD00096182

Mol. Formula:
C15H16N2O3S2

M.W.:
336.44

Type:
---

AlogP:
2.87

Polar Surface Area:
76.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5306091

Name:
DDD00096495

Mol. Formula:
C14H16N2O3S

M.W.:
292.36

Type:
---

AlogP:
1.21

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5306090

Name:
DDD00095863

Mol. Formula:
C13H14N2O3S2

M.W.:
310.40

Type:
---

AlogP:
1.87

Polar Surface Area:
59.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5306089

Name:
DDD00099312

Mol. Formula:
C15H22N2O3S

M.W.:
310.42

Type:
---

AlogP:
1.72

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS