Compounds

Type:
---

AlogP:
1.00

Polar Surface Area:
69.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5202078

Name:
(3S,6R)-benzyl 3,7-dimethyl-4-oxo-6-((4-sulfamoylbenzyl)carbamoyl)octanoate

Mol. Formula:
C25H32N2O6S

M.W.:
488.61

Type:
---

AlogP:
2.95

Polar Surface Area:
132.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5180231

Name:
7-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)-3H-benzo[f][1,2]oxaShow More⌵

Mol. Formula:
C18H12F3N3O3S

M.W.:
407.37

Type:
---

AlogP:
3.69

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5176264

Name:
(Z)-4-((2-(2-(1-(4-methoxybenzoyl)-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoShow More⌵

Mol. Formula:
C24H21N5O6S

M.W.:
507.53

Type:
---

AlogP:
1.46

Polar Surface Area:
160.26

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5171647

Name:
2-((3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-sulfamoylphShow More⌵

Mol. Formula:
C25H23IN4O4S2

M.W.:
634.52

Type:
---

AlogP:
3.15

Polar Surface Area:
124.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5170662

Name:
8-(4-fluorophenyl)-3H-benzo[f][1,2]oxathiepine 2,2-dioxide

Mol. Formula:
C15H11FO3S

M.W.:
290.31

3 activity values

3 unique targets

Type:
---

AlogP:
3.23

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4855878

Name:
4-(4-(5-hydroxy-3-(pyridin-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazolShow More⌵

Mol. Formula:
C24H18F3N7O4S

M.W.:
557.51

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
156.66

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4798978

Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylbenzyl)aShow More⌵

Mol. Formula:
C13H13FN4O5S

M.W.:
356.34

Type:
Unknown

AlogP:
-1.36

Polar Surface Area:
144.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4798382

Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)aShow More⌵

Mol. Formula:
C12H11FN4O5S

M.W.:
342.31

Type:
Unknown

AlogP:
-1.04

Polar Surface Area:
144.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4796488

Name:
N-(4-Cyanobenzyl)-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4Show More⌵

Mol. Formula:
C22H20FN5O5S

M.W.:
485.50

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
159.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4796230

Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(3-sulfamoylphenyl)aShow More⌵

Mol. Formula:
C12H11FN4O5S

M.W.:
342.31

Type:
Unknown

AlogP:
-1.04

Polar Surface Area:
144.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4796201

Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenethyShow More⌵

Mol. Formula:
C14H15FN4O5S

M.W.:
370.36

Type:
Unknown

AlogP:
-1.32

Polar Surface Area:
144.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4792358

Name:
3-(4-((5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C13H11FN6O4S

M.W.:
366.33

Type:
Unknown

AlogP:
-1.05

Polar Surface Area:
145.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4792199

Name:
N-(4-(Dimethylamino)benzyl)-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2HShow More⌵

Mol. Formula:
C23H26FN5O5S

M.W.:
503.56

Type:
Unknown

AlogP:
0.66

Polar Surface Area:
138.57

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4791429

Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-fluorobenzyl)-N-(Show More⌵

Mol. Formula:
C21H20F2N4O5S

M.W.:
478.48

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
135.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4789436

Name:
N-(4-Chlorobenzyl)-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(Show More⌵

Mol. Formula:
C21H20ClFN4O5S

M.W.:
494.93

18 activity values

13 unique targets

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
135.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4786026

Name:
N-benzyl-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoyShow More⌵

Mol. Formula:
C21H21FN4O5S

M.W.:
460.49

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
135.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4785560

Name:
4-(4-((5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C13H11FN6O4S

M.W.:
366.33

18 activity values

13 unique targets

Type:
Unknown

AlogP:
-1.05

Polar Surface Area:
145.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4785285

Name:
3-Chloro-4-(4-((5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1HShow More⌵

Mol. Formula:
C13H10ClFN6O4S

M.W.:
400.78

Type:
Unknown

AlogP:
-0.39

Polar Surface Area:
145.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4782608

Name:
3-Bromo-4-(4-((5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-Show More⌵

Mol. Formula:
C13H10BrFN6O4S

M.W.:
445.23