Compounds

ALA4877464

Name:
1-((2R,4S,5R)-4-hydroxy-5-((2-(4-hydroxyphenylamino)-3,4-dioxocyclobut-1-enShow More⌵

Mol. Formula:
C20H20N4O7

M.W.:
428.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.35

Polar Surface Area:
162.75

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4875792

Name:
1-((2R,4S,5R)-5-((2-(diethylamino)-3,4-dithioxocyclobut-1-enylamino)methyl)Show More⌵

Mol. Formula:
C18H24N4O4S2

M.W.:
424.55

7 activity values

3 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
99.59

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4871521

Name:
1-((2R,4S,5R)-5-((2-ethoxy-3,4-dioxocyclobut-1-enylamino)methyl)-4-hydroxytShow More⌵

Mol. Formula:
C16H19N3O7

M.W.:
365.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.40

Polar Surface Area:
139.72

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4869993

Name:
1-((2R,4S,5S)-4-(2-(diethylamino)-3,4-dithioxocyclobut-1-enylamino)-5-(hydrShow More⌵

Mol. Formula:
C18H24N4O4S2

M.W.:
424.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
99.59

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4866870

Name:
Sodium 2-(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

Mol. Formula:
C14H14N3NaO7

M.W.:
359.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.09

Polar Surface Area:
150.72

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4860255

Name:
1-((2R,4S,5R)-4-hydroxy-5-((2-(2-hydroxyethylamino)-3,4-dioxocyclobut-1-enyShow More⌵

Mol. Formula:
C16H20N4O7

M.W.:
380.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.39

Polar Surface Area:
162.75

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4858479

Name:
1-((2R,4S,5R)-5-((2-(diethylamino)-3,4-dioxocyclobut-1-enylamino)methyl)-4-Show More⌵

Mol. Formula:
C18H24N4O6

M.W.:
392.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.95

Polar Surface Area:
133.73

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4851371

Name:
1-((2R,4S,5S)-4-hydroxy-5-((2-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4Show More⌵

Mol. Formula:
C24H28N6O8S2

M.W.:
592.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.14

Polar Surface Area:
192.70

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4850422

Name:
1-((2R,4S,5S)-4-(2-(hydroxy(methyl)amino)-3,4-dioxocyclobut-1-enylamino)-5-Show More⌵

Mol. Formula:
C15H18N4O7

M.W.:
366.33

5 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.97

Polar Surface Area:
153.96

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4849126

Name:
Sodium 2-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrShow More⌵

Mol. Formula:
C14H14N3NaO7

M.W.:
359.27

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.09

Polar Surface Area:
150.72

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4847852

Name:
1-((2R,3R,4S,5S)-3-hydroxy-4-(2-(hydroxy(methyl)amino)-3,4-dioxocyclobut-1-Show More⌵

Mol. Formula:
C14H16N4O8

M.W.:
368.30

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.31

Polar Surface Area:
174.19

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS