Compounds

ALA5193279

Name:

Mol. Formula:
C31H37F6N5O8

M.W.:
721.65

30 activity values

13 unique targets

Type:
---

AlogP:
2.76

Polar Surface Area:
93.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4877144

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-aminothiazol-4-yl)-2-((S)-1-carboxyethoxyimino)aceShow More⌵

Mol. Formula:
C17H17N5O9S2

M.W.:
499.48

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.34

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4875678

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-aminothiazol-4-yl)-2-(2-carboxypropan-2-yloxyiminoShow More⌵

Mol. Formula:
C18H19N5O9S2

M.W.:
513.51

15 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.95

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4875471

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[(R)-1-carboxy-ethoxyiminShow More⌵

Mol. Formula:
C17H17N5O10S2

M.W.:
515.48

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.32

Polar Surface Area:
233.87

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4875198

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-aminothiazol-4-yl)-2-(1-carboxycyclopropoxyimino)aShow More⌵

Mol. Formula:
C18H17N5O9S2

M.W.:
511.49

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.19

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4873728

Name:
(3aR,5aR,6R,8aR)-6-(2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethoxyiminShow More⌵

Mol. Formula:
C15H14N6O9S2

M.W.:
486.44

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.33

Polar Surface Area:
223.70

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4871662

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[ethoxyimino]-acetylaminoShow More⌵

Mol. Formula:
C16H17N5O8S2

M.W.:
471.47

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.77

Polar Surface Area:
196.57

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4866303

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-amino-5-chlorothiazol-4-yl)-2-(carboxymethoxyiminoShow More⌵

Mol. Formula:
C16H14ClN5O9S2

M.W.:
519.90

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.07

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4863878

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetamidShow More⌵

Mol. Formula:
C16H15N5O9S2

M.W.:
485.46

8 activity values

4 unique targets

Type:
Unknown

AlogP:
-1.73

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4863667

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[1-carboxy-cyclopropoxyimShow More⌵

Mol. Formula:
C18H17N5O10S2

M.W.:
527.49

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.18

Polar Surface Area:
233.87

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4863279

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[(S)-1-carboxy-ethoxyiminShow More⌵

Mol. Formula:
C17H17N5O10S2

M.W.:
515.48

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.32

Polar Surface Area:
233.87

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4862311

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[carboxymethoxyimino]-aceShow More⌵

Mol. Formula:
C16H15N5O10S2

M.W.:
501.46

19 activity values

5 unique targets

Type:
Unknown

AlogP:
-2.71

Polar Surface Area:
233.87

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4861857

Name:
(3aR,5aR,6R,8aR)-6-(2-(2-aminothiazol-4-yl)-2-((R)-1-carboxyethoxyimino)aceShow More⌵

Mol. Formula:
C17H17N5O9S2

M.W.:
499.48

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.34

Polar Surface Area:
210.81

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4852002

Name:
(2R,2aR,3R,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[carboxymethoxyimino]-aceShow More⌵

Mol. Formula:
C16H15N5O10S2

M.W.:
501.46

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.71

Polar Surface Area:
233.87

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4849265

Name:
(2R,2aR,3S,4aR,7aR)-2-{2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-[carboxymethoxyShow More⌵

Mol. Formula:
C15H14N6O10S2

M.W.:
502.44

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-3.31

Polar Surface Area:
246.76

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4847598

Name:
(2R,2aR,4aR,7aR)-2-{2-(2-Amino-thiazol-4-yl)-2-[carboxymethoxyimino]-acetylShow More⌵

Mol. Formula:
C16H15N5O11S2

M.W.:
517.45

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-3.04

Polar Surface Area:
244.95

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3763520

Name:
(S,Z)-3-(2-(2-aminothiazol-4-yl)-2-((1,5-dihydroxy-4-oxo-1,4-dihydropyridinShow More⌵

Mol. Formula:
C16H18N6O9S2

M.W.:
502.49

72 activity values

13 unique targets

Type:
Small molecule

AlogP:
-1.34

Polar Surface Area:
226.74

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3764038

Name:
trans-(Z)-3-(2-Aminothiazol-4-yl)-2-[[[(1-methyl-1H-1,2,3-triazol-4-yl)methShow More⌵

Mol. Formula:
C13H16N8O6S2

M.W.:
444.46

21 activity values

12 unique targets

Type:
Small molecule

AlogP:
-1.71

Polar Surface Area:
194.99

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3764616

Name:
(3S,2Z)-3-(2-Aminothiazol-4-yl)-2-[[[(1-carbonylmethyl-1H-1,2,3-triazol-4-yShow More⌵

Mol. Formula:
C15H18N8O8S2

M.W.:
502.49

21 activity values

12 unique targets

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
232.29

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3763322

Name:
(3S,2Z)-3-(2-Aminothiazol-4-yl)-2-[[[(1-cyclopropylmethyl-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C17H22N8O6S2

M.W.:
498.55

21 activity values

12 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
194.99

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS