Compounds

ALA5173881

Name:
[5-[4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-ylShow More⌵

Mol. Formula:
C37H35N3O8S2

M.W.:
713.83

4 activity values

4 unique targets

Type:
---

AlogP:
5.38

Polar Surface Area:
163.29

HBA:
9

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3805734

Name:
3-(N-(((2R,3S,4R,5R)-5-biphenyl-3-ylcarboxamido-3,4,6-trihydroxytetrahydro-Show More⌵

Mol. Formula:
C26H26N2O9S

M.W.:
542.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
182.49

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3806069

Name:
N-((3R,4R,5S,6R)-6-((4-cyanophenylsulfonamido)methyl)-2,4,5-trihydroxytetraShow More⌵

Mol. Formula:
C26H25N3O7S

M.W.:
523.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
168.98

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3805398

Name:
N-((3R,4R,5S,6R)-6-((4-chloropyridine-3-sulfonamido)methyl)-2,4,5-trihydroxShow More⌵

Mol. Formula:
C24H24ClN3O7S

M.W.:
533.99

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
158.08

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3805905

Name:
2-[(3-biphenylylcarbonyl)amino]-2,6-dideoxy-6-{[(2,3-dichlorophenyl)sulfonyShow More⌵

Mol. Formula:
C25H24Cl2N2O7S

M.W.:
567.45

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
145.19

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3805598

Name:
N-((3R,4R,5S,6R)-6-((3-chlorophenylsulfonamido)methyl)-2,4,5-trihydroxytetrShow More⌵

Mol. Formula:
C25H25ClN2O7S

M.W.:
533.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
145.19

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3805148

Name:
N-((3R,4R,5S,6R)-6-((2-chlorophenylsulfonamido)methyl)-2,4,5-trihydroxytetrShow More⌵

Mol. Formula:
C25H25ClN2O7S

M.W.:
533.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
145.19

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3806250

Name:
3-(3,4-dichlorophenyl)-N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-((4-methylphenylShow More⌵

Mol. Formula:
C22H24Cl2N2O7S

M.W.:
531.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
145.19

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3805753

Name:
N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(phenylsulfonamidomethyl)tetrahydro-2H-Show More⌵

Mol. Formula:
C25H26N2O7S

M.W.:
498.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
145.19

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3805752

Name:
3-(3,4-dichlorophenyl)-N-((3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)tetrShow More⌵

Mol. Formula:
C15H17Cl2NO5

M.W.:
362.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
99.02

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3805806

Name:
3-(3,4-dichlorophenyl)-N-((3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-mShow More⌵

Mol. Formula:
C16H19Cl2NO6

M.W.:
392.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3805765

Name:
3,5-dinitro-N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2Show More⌵

Mol. Formula:
C13H15N3O10

M.W.:
373.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.97

Polar Surface Area:
205.53

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3804924

Name:
2-(4-(trifluoromethyl)cyclohexylidene)-N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-Show More⌵

Mol. Formula:
C15H22F3NO6

M.W.:
369.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3804930

Name:
4'-cyano-5-(trifluoromethyl)-N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymeShow More⌵

Mol. Formula:
C21H19F3N2O6

M.W.:
452.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
143.04

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3805460

Name:
2-[(3-biphenylylcarbonyl)amino]-2-deoxy-D-glucopyranose

Mol. Formula:
C19H21NO6

M.W.:
359.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3806183

Name:
N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-ylShow More⌵

Mol. Formula:
C19H21NO6

M.W.:
359.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3805703

Name:
3-(3,4-dichlorophenyl)-N-((3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tShow More⌵

Mol. Formula:
C15H17Cl2NO6

M.W.:
378.21

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3805459

Name:
5-chloro-N-((3R,4R,5S,6R)-6-((2,3-dichlorophenylsulfonamido)methyl)-2,4,5-tShow More⌵

Mol. Formula:
C16H17Cl3N2O8S3

M.W.:
567.88

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
162.26

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3806095

Name:
2,3-dichloro-N-(((2R,3S,4R,5R)-5-(3,4-dichlorophenylsulfonamido)-3,4,6-trihShow More⌵

Mol. Formula:
C18H18Cl4N2O8S2

M.W.:
596.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
162.26

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3806103

Name:
4'-chloro-N-((3R,4R,5S,6R)-6-((2,3-dichlorophenylsulfonamido)methyl)-2,4,5-Show More⌵

Mol. Formula:
C24H23Cl3N2O8S2

M.W.:
637.95

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
162.26

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS