Compounds

Type:
Unknown

AlogP:
-0.80

Polar Surface Area:
188.12

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4647216

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl)tetShow More⌵

Mol. Formula:
C22H33N5O7S

M.W.:
511.60

5 activity values

Type:
Unknown

AlogP:
-0.18

Polar Surface Area:
178.89

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4646149

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

Mol. Formula:
C21H31N3O6

M.W.:
421.49

5 activity values

Type:
Unknown

AlogP:
0.48

Polar Surface Area:
119.09

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4643187

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(2-(5-phenyl-2H-tetrazol-2-yl)ethyl)tetrahydShow More⌵

Mol. Formula:
C21H32N6O7S

M.W.:
512.59

5 activity values

Type:
Unknown

AlogP:
-0.78

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4636583

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)propyl)teShow More⌵

Mol. Formula:
C23H35N5O7S

M.W.:
525.63

Type:
Unknown

AlogP:
0.21

Polar Surface Area:
178.89

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4553017

Name:
N-L-isoleucyl-C-5'-adenosyl-methansulfonamide

Mol. Formula:
C17H27N7O6S

M.W.:
457.51

2 activity values

Type:
Unknown

AlogP:
-1.76

Polar Surface Area:
208.57

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4475568

Name:
5'-O-(N-L-isoleucyl)-sulfamoyl-N3-methyluridine

Mol. Formula:
C16H26N4O9S

M.W.:
450.47

4 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.08

Polar Surface Area:
192.18

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4215986

Name:
5'-O-(N-L-isoleucyl)sulfamoyl-3-deaza-adenosine

Mol. Formula:
C17H26N6O7S

M.W.:
458.50

Type:
Small molecule

AlogP:
-1.62

Polar Surface Area:
204.91

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3265243

Name:
5'-O-(N-L-Isoleucyl)-sulfamoyl-uridine

Mol. Formula:
C15H24N4O9S

M.W.:
436.44

20 activity values

Type:
Small molecule

AlogP:
-3.09

Polar Surface Area:
203.04

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2115370

Name:
5-[3-(2-Hydroxy-1-methyl-propyl)-oxiranylmethyl]-2-(2-methyl-3-phenylsulfanShow More⌵

Mol. Formula:
C22H32O5S

M.W.:
408.56

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
82.45

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2114438

Name:
5-[3-(2-Hydroxy-1-methyl-propyl)-oxiranylmethyl]-2-(2-methyl-3-phenylsulfanShow More⌵

Mol. Formula:
C22H32O5S

M.W.:
408.56

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
82.45

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1789972

Name:
(1S,2S)-1-[(2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-yloxShow More⌵

Mol. Formula:
C15H23N7O6S

M.W.:
429.46

1 activity values

Type:
Small molecule

AlogP:
-1.23

Polar Surface Area:
197.57

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1789970

Name:
(1S,2S)-1-[(2R,5R)-5-(6-Amino-purin-9-yl)-4-hydroxy-tetrahydro-furan-2-yloxShow More⌵

Mol. Formula:
C15H23N7O6S

M.W.:
429.46

1 activity values

Type:
Small molecule

AlogP:
-1.23

Polar Surface Area:
197.57

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1161708

Name:
(1S,2S)-1-[(2R,5R)-5-(6-Amino-purin-9-yl)-tetrahydro-furan-2-yloxysulfonylaShow More⌵

Mol. Formula:
C15H23N7O5S

M.W.:
413.46

1 activity values

Type:
Small molecule

AlogP:
-0.21

Polar Surface Area:
177.34

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA40757

Name:
9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahShow More⌵

Mol. Formula:
C27H48O8

M.W.:
500.67

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
117.98

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA40737

Name:
4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydrShow More⌵

Mol. Formula:
C17H26O7

M.W.:
342.39

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
108.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA41562

Name:
2-Furan-3-ylmethyl-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahyShow More⌵

Mol. Formula:
C17H26O6

M.W.:
326.39

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
95.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA288953

Name:
4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydrShow More⌵

Mol. Formula:
C23H32O6

M.W.:
404.50

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
99.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA42269

Name:
Sodium salt 9-(4-{3,4-dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmeShow More⌵

Mol. Formula:
C26H43NaO9

M.W.:
522.61

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
146.05

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA415885

Name:
9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahShow More⌵

Mol. Formula:
C26H44O10

M.W.:
516.63