Compounds

ALA4585318

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C17H34N4O6

M.W.:
390.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.52

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4583631

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C14H30N4O6

M.W.:
350.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-4.46

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4580827

Name:
4,4'-(((2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroShow More⌵

Mol. Formula:
C20H34N4O8

M.W.:
458.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-4.26

Polar Surface Area:
214.82

HBA:
12

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4560686

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((3,5-di-tert-butyl-4-hydroxybenzylamino)methyl)Show More⌵

Mol. Formula:
C27H48N4O7

M.W.:
540.70

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.98

Polar Surface Area:
209.70

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4539971

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((benzylamino)methyl)-6-((1R,2R,3S,4R,6S)-4,6-diShow More⌵

Mol. Formula:
C19H32N4O6

M.W.:
412.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.28

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4531748

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((2-chlorobenzylamino)methyl)-6-((1R,2R,3S,4R,6SShow More⌵

Mol. Formula:
C19H31ClN4O6

M.W.:
446.93

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.63

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4517375

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C21H36N4O8

M.W.:
472.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.18

Polar Surface Area:
218.93

HBA:
12

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4483318

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C20H34N4O8

M.W.:
458.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.57

Polar Surface Area:
218.93

HBA:
12

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4466821

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C19H32N4O7

M.W.:
428.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.58

Polar Surface Area:
209.70

HBA:
11

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4460970

Name:
(2R,3S,4R,5R,6R)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycycloShow More⌵

Mol. Formula:
C19H31N5O8

M.W.:
457.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.38

Polar Surface Area:
232.61

HBA:
12

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4460433

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((cinnamylamino)methyl)-6-((1R,2R,3S,4R,6S)-4,6-Show More⌵

Mol. Formula:
C21H34N4O6

M.W.:
438.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.77

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4443278

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((3-aminobenzylamino)methyl)-6-((1R,2R,3S,4R,6S)Show More⌵

Mol. Formula:
C19H33N5O6

M.W.:
427.50

3 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.70

Polar Surface Area:
215.49

HBA:
11

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4435966

Name:
(2R,3S,4R,5R,6R)-5-amino-2-((cyclohexylmethylamino)methyl)-6-((1R,2R,3S,4R,Show More⌵

Mol. Formula:
C19H38N4O6

M.W.:
418.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.90

Polar Surface Area:
189.47

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3754093

Name:
Neomycin

Mol. Formula:
C23H46N6O13

M.W.:
614.65

12 activity values

11 unique targets

Type:
Small molecule

AlogP:
-8.90

Polar Surface Area:
353.11

HBA:
19

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1998429

Name:
SID49724275

Mol. Formula:
C17H12BrN3O5

M.W.:
418.20

32 activity values

23 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
110.88

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1517523

Name:
SID17411512

Mol. Formula:
C10H8N2O3S

M.W.:
236.25

21 activity values

17 unique targets

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
63.45

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1493286

Name:
SID57265998

Mol. Formula:
C17H21N3O3

M.W.:
315.37

16 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
83.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

4'-Hydroxyazobenzene-2-carboxylic Acid

Name:
SID49674239

Mol. Formula:
C13H10N2O3

M.W.:
242.23

20 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
82.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1436090

Name:
SID56317263

Mol. Formula:
C20H29N5O7S2

M.W.:
515.61

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
-0.17

Polar Surface Area:
157.03

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1415985

Name:
SID56318679

Mol. Formula:
C20H17F3N2O6

M.W.:
438.36

24 activity values

22 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
105.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS