Compounds

ALA5195422

Name:
2,2'-((2-((3-Methoxybenzyl)oxy)-1,4-phenylene)bis(((4-methoxyphenyl)sulfonyShow More⌵

Mol. Formula:
C32H32N2O12S2

M.W.:
700.74

13 activity values

7 unique targets

Type:
---

AlogP:
3.85

Polar Surface Area:
186.28

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4877648

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H15FI2N4O4S2

M.W.:
736.33

9 activity values

2 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4876741

Name:
N-(4-bromophenyl)-2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinShow More⌵

Mol. Formula:
C22H15BrI2N4O4S2

M.W.:
797.23

11 activity values

2 unique targets

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4873086

Name:
N-(2-chloropyridin-3-yl)-2-((6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihShow More⌵

Mol. Formula:
C21H14ClI2N5O4S2

M.W.:
753.77

28 activity values

5 unique targets

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
137.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4872280

Name:
N-(5-chloropyridin-2-yl)-2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihyShow More⌵

Mol. Formula:
C21H14ClI2N5O4S2

M.W.:
753.77

7 activity values

2 unique targets

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
137.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4869577

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H15I3N4O4S2

M.W.:
844.23

9 activity values

2 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4869545

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C21H15I2N5O4S2

M.W.:
719.32

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
137.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4868320

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C21H15I2N5O4S2

M.W.:
719.32

9 activity values

2 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
137.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4865661

Name:
N-(4-chlorophenyl)-2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquiShow More⌵

Mol. Formula:
C22H15ClI2N4O4S2

M.W.:
752.78

9 activity values

2 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4863953

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H13Cl3I2N4O4S2

M.W.:
821.67

9 activity values

2 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4862684

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H13Cl3I2N4O4S2

M.W.:
821.67

9 activity values

2 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4856551

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H15FI2N4O4S2

M.W.:
736.33

9 activity values

2 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4852878

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C22H15FI2N4O4S2

M.W.:
736.33

8 activity values

2 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4848951

Name:
N-(2,4-dibromophenyl)-2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroShow More⌵

Mol. Formula:
C22H14Br2I2N4O4S2

M.W.:
876.13

9 activity values

2 unique targets

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4847585

Name:
2-(6,8-diiodo-4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-ylthio)-NShow More⌵

Mol. Formula:
C21H15I2N5O4S2

M.W.:
719.32

9 activity values

2 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
137.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4783424

Name:
(E)-N-ethyl-3-(3-(4-fluorophenyl)acryloyl)-N-methyl-2-oxoimidazolidine-1-caShow More⌵

Mol. Formula:
C16H18FN3O3

M.W.:
319.34

87 activity values

6 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
60.93

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4644112

Name:
4beta-hydroxywithanolide E

Mol. Formula:
C28H38O8

M.W.:
502.60

68 activity values

10 unique targets

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
136.82

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

AEM1

Name:
N-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C20H14FN3O2S

M.W.:
379.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
56.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4249418

Name:
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis((E)-3-methylbut-1-enyl)-4H-chShow More⌵

Mol. Formula:
C25H26O6

M.W.:
422.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
111.13

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4247203

Name:
(1E,5E)-7-(2,6-dihydroxy-3-((E)-3-(4-hydroxyphenyl)acryloyl)phenyl)-1-(4-hyShow More⌵

Mol. Formula:
C30H28O7

M.W.:
500.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS