Compounds

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
148.92

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4209152

Name:
(2S,3S,4R,5R)-5-(6-(6-(5-(dimethylamino)naphthalen
Show More⌵

Cas Number:
219982-12-4

Mol. Formula:
C30H40N8O6S

M.W.:
640.77

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
183.83

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2413108

Name:
(2S,3S,4R,5R)-5-(6-(12-(5-(dimethylamino)naphthale
Show More⌵

Mol. Formula:
C38H56N8O4S

M.W.:
720.98

Type:
Small molecule

AlogP:
6.64

Polar Surface Area:
143.37

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2413107

Name:
(2S,3S,4R,5R)-5-(6-(10-(5-(dimethylamino)naphthale
Show More⌵

Mol. Formula:
C36H52N8O4S

M.W.:
692.93

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
143.37

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2413105

Name:
(2S,3S,4R,5R)-5-(6-(6-(5-(dimethylamino)naphthalen
Show More⌵

Mol. Formula:
C32H44N8O4S

M.W.:
636.82

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
143.37

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2413104

Name:
(2S,3S,4R,5R)-5-(6-(4-(5-(dimethylamino)naphthalen
Show More⌵

Mol. Formula:
C30H40N8O4S

M.W.:
608.77

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
143.37

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2413103

Name:
(2S,3S,4R,5R)-5-(6-(3-(5-(dimethylamino)naphthalen
Show More⌵

Mol. Formula:
C29H38N8O4S

M.W.:
594.74

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
143.37

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1791443

Name:
3,4-Dihydroxy-5-(6-{3-[4-(5-methyl-isoxazol-3-ylsu
Show More⌵

Mol. Formula:
C23H27N9O8S

M.W.:
589.59

2 unique targets

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
238.88

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA610326

Name:
3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-ylsulfamoyl)-p
Show More⌵

Mol. Formula:
C24H25N9O7S

M.W.:
583.59

2 unique targets

Type:
Small molecule

AlogP:
0.42

Polar Surface Area:
222.58

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA609340

Name:
3,4-Dihydroxy-5-(6-{3-[4-(pyrimidin-2-ylsulfamoyl)
Show More⌵

Mol. Formula:
C23H24N10O7S

M.W.:
584.58

2 unique targets

Type:
Small molecule

AlogP:
-0.18

Polar Surface Area:
235.47

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA603356

Name:
2-(6-Amino-purin-9-yl)-5-methylsulfanyl-tetrahydro
Show More⌵

Mol. Formula:
C10H13N5O3S

M.W.:
283.31

Type:
Small molecule

AlogP:
-0.65

Polar Surface Area:
119.31

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA374645

Name:
2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-me
Show More⌵

Mol. Formula:
C16H23N9O4

M.W.:
405.42

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.88

Polar Surface Area:
159.50

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA382787

Name:
(2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyrimidin-
Show More⌵

Mol. Formula:
C23H24N10O7S

M.W.:
584.58

Type:
Small molecule

AlogP:
-0.18

Polar Surface Area:
235.47

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA206807

Name:
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro
Show More⌵

Mol. Formula:
C22H27N7O6

M.W.:
485.50

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
172.75

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA203859

Name:
(2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(5-methyl-i
Show More⌵

Mol. Formula:
C23H25N9O8S

M.W.:
587.58

Type:
Small molecule

AlogP:
0.32

Polar Surface Area:
235.72

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA380943

Name:
(2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-
Show More⌵

Mol. Formula:
C24H25N9O7S

M.W.:
583.59