Compounds

Type:
---

AlogP:
0.11

Polar Surface Area:
158.14

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5197934

Name:
((1S,2S,4R)-4-((6-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-5-fluoropyrimidin-Show More⌵

Mol. Formula:
C19H24FN5O4S

M.W.:
437.50

Type:
---

AlogP:
1.49

Polar Surface Area:
139.46

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5197609

Name:
((1S,2S,4R)-4-(7-((1H-Indol-1-yl)amino)-3H-[1,2,3]triazolo[4,5-d]-pyrimidinShow More⌵

Mol. Formula:
C18H20N8O4S

M.W.:
444.48

Type:
---

AlogP:
0.58

Polar Surface Area:
163.07

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5197178

Name:
(1S,2S,4R)-2-Hydroxy-4-(7-(((1R,2S)-2-(2-methoxyethoxy)-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C22H29N7O6S

M.W.:
519.58

Type:
---

AlogP:
0.49

Polar Surface Area:
176.60

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5201980

Name:
((1S,2S,4R)-4-(4-(((S)-2,3-Dihydro-1H-inden-1-yl)amino)-1H-pyrazolo[3,4-b]pShow More⌵

Mol. Formula:
C21H25N5O4S

M.W.:
443.53

Type:
---

AlogP:
2.06

Polar Surface Area:
132.36

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5201960

Name:
tert-Butyl(S)-3-((3-((1R,3S,4S)-3-hydroxy-4-((sulfamoyloxy)-methyl)cyclopenShow More⌵

Mol. Formula:
C23H30N8O4S

M.W.:
514.61

Type:
---

AlogP:
0.93

Polar Surface Area:
170.17

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5200375

Name:
((1S,2S,4R)-2-Hydroxy-4-(7-((3-phenylpropyl)amino)-3H-[1,2,3]-triazolo[4,5-Show More⌵

Mol. Formula:
C19H25N7O4S

M.W.:
447.52

Type:
---

AlogP:
0.80

Polar Surface Area:
158.14

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5209054

Name:
Isopropyl (S)-3-((3-((1R,3S,4S)-3-Hydroxy-4-((sulfamoyloxy)-methyl)cyclopenShow More⌵

Mol. Formula:
C27H36N8O6S

M.W.:
600.70

Type:
---

AlogP:
2.19

Polar Surface Area:
187.68

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5207989

Name:
((1S,2S,4R)-4-(7-((Furan-2-ylmethyl)amino)-3H-[1,2,3]triazolo-[4,5-d]pyrimiShow More⌵

Mol. Formula:
C15H19N7O5S

M.W.:
409.43

Type:
---

AlogP:
-0.04

Polar Surface Area:
171.28

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5206652

Name:
(R)-Tetrahydrofuran-3-yl (S)-3-((3-((1R,3S,4S)-3-Hydroxy-4-((sulfamoyloxy)mShow More⌵

Mol. Formula:
C28H36N8O7S

M.W.:
628.71

Type:
---

AlogP:
1.57

Polar Surface Area:
196.91

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5206633

Name:
((1S,2S,4R)-2-Hydroxy-4-(7-((thiophen-2-ylmethyl)amino)-3H-[1,2,3]triazolo-Show More⌵

Mol. Formula:
C18H23N7O4S

M.W.:
433.49

Type:
---

AlogP:
0.41

Polar Surface Area:
158.14

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5206263

Name:
(1R,4S)-methyl 4-(3-((1R,3S,4S)-3-hydroxy-4-(sulfamoyloxymethyl)cyclopentylShow More⌵

Mol. Formula:
C17H23N7O6S

M.W.:
453.48

Type:
---

AlogP:
-0.72

Polar Surface Area:
184.44

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5193236

Name:
2-Fluoroethyl (S)-3-((3-((1R,3S,4S)-3-Hydroxy-4-((sulfamoyloxy)-methyl)cyclShow More⌵

Mol. Formula:
C26H33FN8O6S

M.W.:
604.67

Type:
---

AlogP:
1.75

Polar Surface Area:
187.68

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5192527

Name:
2-Morpholinoethyl (S)-3-((3-((1R,3S,4S)-3-Hydroxy-4-((sulfamoyloxy)methyl)cShow More⌵

Mol. Formula:
C30H41N9O7S

M.W.:
671.78

Type:
---

AlogP:
1.11

Polar Surface Area:
200.15

HBA:
14

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5192493

Name:
((1S,2S,4R)-2-Hydroxy-4-(7-(((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amShow More⌵

Mol. Formula:
C19H23N7O5S

M.W.:
461.50

3 activity values

3 unique targets

Type:
---

AlogP:
-0.18

Polar Surface Area:
178.37

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5190183

Name:
((1S,2S,4R)-2-Hydroxy-4-(7-((2-(thiophen-2-yl)ethyl)amino)-3H-[1,2,3]triazoShow More⌵

Mol. Formula:
C16H21N7O4S2

M.W.:
439.52

Type:
---

AlogP:
0.47

Polar Surface Area:
158.14

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5189807

Name:
((1S,2S,4R)-4-(7-(((1R,2S)-2-(Dimethylamino)-2,3-dihydro-1H-inden-1-yl)aminShow More⌵

Mol. Formula:
C21H28N8O4S

M.W.:
488.57

Type:
---

AlogP:
0.39

Polar Surface Area:
161.38

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5188530

Name:
((1S,2S,4R)-2-Hydroxy-4-(7-(((S)-1'-(2-methoxyacetyl)-2,3-dihydrospiro[indeShow More⌵

Mol. Formula:
C26H34N8O6S

M.W.:
586.68

Type:
---

AlogP:
0.82

Polar Surface Area:
187.68

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5188300

Name:
1,3-Dihydroxypropan-2-yl (S)-3-((3-((1R,3S,4S)-3-Hydroxy-4-((sulfamoyloxy)mShow More⌵

Mol. Formula:
C27H36N8O8S

M.W.:
632.70

Type:
---

AlogP:
0.13

Polar Surface Area:
228.14

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5188093

Name:
((1S,2S,4R)-2-hydroxy-4-(7-((S)-1'-methyl-2,3-dihydrospiro[indene-1,4'-pipeShow More⌵

Mol. Formula:
C24H32N8O4S

M.W.:
528.64