Compounds

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3431928

Name:

Mol. Formula:
C24H21ClN2O8S

M.W.:
532.96

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
131.47

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3431927

Name:

Mol. Formula:
C21H18Cl2N4O7S

M.W.:
541.37

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
140.06

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3431926

Name:

Mol. Formula:
C21H17Cl2N3O7S2

M.W.:
558.42

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
135.13

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3431925

Name:

Mol. Formula:
C23H23ClN4O9S

M.W.:
566.98

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
158.52

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3431924

Name:

Mol. Formula:
C23H22ClN3O9S2

M.W.:
584.03

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
153.59

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3431923

Name:

Mol. Formula:
C26H25ClN2O9S

M.W.:
577.01

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
140.70

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3431922

Name:

Mol. Formula:
C23H22ClN3O9S2

M.W.:
584.03

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
153.59

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3431921

Name:

Mol. Formula:
C23H23ClN4O8S

M.W.:
550.98

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
149.29

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3431920

Name:

Mol. Formula:
C23H22ClN3O8S2

M.W.:
568.03

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
144.36

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3431919

Name:

Mol. Formula:
C23H17ClN2O6S

M.W.:
484.92

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
125.56

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3431918

Name:

Mol. Formula:
C24H18ClF3N2O7S

M.W.:
570.93

7 activity values

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3431917

Name:

Mol. Formula:
C22H16Cl2N2O7S

M.W.:
523.35

7 activity values

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3431916

Name:

Mol. Formula:
C23H19ClN2O7S

M.W.:
502.93

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3431915

Name:

Mol. Formula:
C24H21ClN2O7S

M.W.:
516.96

7 activity values

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3431914

Name:

Mol. Formula:
C23H18Cl2N2O7S

M.W.:
537.38

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3431913

Name:

Mol. Formula:
C23H17Cl2FN2O7S

M.W.:
555.37

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3431912

Name:

Mol. Formula:
C23H17ClF2N2O7S

M.W.:
538.91

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3431911

Name:

Mol. Formula:
C21H20N4O5S

M.W.:
440.48

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
128.62

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3431910

Name:

Mol. Formula:
C20H21N5O4

M.W.:
395.42