Compounds

ALA4876966

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-phenethyl-1H-1,2,3-triazol-1-yl)propylShow More⌵

Mol. Formula:
C25H39N5O7S

M.W.:
553.68

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.33

Polar Surface Area:
178.89

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4871282

Name:
((2R,3S,4S,5R)-5-(3-(4-((benzylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)-Show More⌵

Mol. Formula:
C25H40N6O7S

M.W.:
568.70

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.16

Polar Surface Area:
190.92

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4871079

Name:
((2R,3S,4S,5R)-5-(3-(4-(aminomethyl)-1H-1,2,3-triazol-1-yl)propyl)-3,4-dihyShow More⌵

Mol. Formula:
C18H34N6O7S

M.W.:
478.57

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-2.00

Polar Surface Area:
204.91

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4869028

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-ylShow More⌵

Mol. Formula:
C28H45N5O7S

M.W.:
595.76

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
178.89

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4867227

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

Mol. Formula:
C25H47N5O7S

M.W.:
561.75

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
178.89

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4864965

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-Show More⌵

Mol. Formula:
C24H34F3N5O8S

M.W.:
609.62

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
188.12

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4864835

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

Mol. Formula:
C26H41N7O8S

M.W.:
611.72

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.45

Polar Surface Area:
220.02

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4864716

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl)pShow More⌵

Mol. Formula:
C22H34N6O7S

M.W.:
526.62

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.39

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4861722

Name:
((2R,3S,4S,5R)-5-(3-(4-((3-benzylureido)methyl)-1H-1,2,3-triazol-1-yl)propyShow More⌵

Mol. Formula:
C23H35N5O7S

M.W.:
525.63

4 activity values

4 unique targets

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

ALA4855635

Name:
2-Deoxy-4,5-dihydroxy-1-[5-phenyltetrazole]-D-alloheptitol-7-N-(leucyl)-sulShow More⌵

Mol. Formula:
C20H30N6O7S

M.W.:
498.56

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-1.03

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4852287

Name:
((2R,3S,4S,5R)-5-(3-(4-(benzamidomethyl)-1H-1,2,3-triazol-1-yl)propyl)-3,4-Show More⌵

Mol. Formula:
C25H38N6O8S

M.W.:
582.68

4 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.52

Polar Surface Area:
207.99

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4850408

Name:
((2R,3S,4S,5R)-3,4-dihydroxy-5-(3-(4-(4-hydroxybutyl)-1H-1,2,3-triazol-1-ylShow More⌵

Mol. Formula:
C21H39N5O8S

M.W.:
521.64

5 activity values

5 unique targets

Type:
Unknown

AlogP:
-1.14

Polar Surface Area:
199.12

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4467328

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

Mol. Formula:
C15H24N4O9S

M.W.:
436.44

10 activity values

3 unique targets

Type:
Unknown

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

ALA4465674

Name:
5'-O-(N-L-leucyl)-sulfamoyl-cytidine

Mol. Formula:
C15H25N5O8S

M.W.:
435.46

10 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.80

Polar Surface Area:
209.09

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4451258

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

Mol. Formula:
C16H26N4O9S

M.W.:
450.47

2 activity values

1 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

ALA4444740

Name:
(3S)-3-amino-5-methyl-1-[3-(6-methylpyrimidin-4-yl)phenyl]sulfonyl-hexan-2-Show More⌵

Mol. Formula:
C18H23N3O3S

M.W.:
361.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
103.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS