Compounds

ALA3351153

Name:
3-Amino-8,9,10-trihydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-Show More⌵

Mol. Formula:
C8H13N3O7

M.W.:
263.21

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
-4.42

Polar Surface Area:
165.58

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3351152

Name:
9,10,11-Trihydroxy-8-hydroxymethyl-7-oxa-1,4-diaza-spiro[5.5]undecane-2,5-dShow More⌵

Mol. Formula:
C9H14N2O7

M.W.:
262.22

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-4.60

Polar Surface Area:
148.35

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3351151

Name:
N-(8,9,10-Trihydroxy-7-hydroxymethyl-2,4-dioxo-6-oxa-1,3-diaza-spiro[4.5]deShow More⌵

Mol. Formula:
C10H15N3O8

M.W.:
305.24

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-4.24

Polar Surface Area:
168.66

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3351150

Name:
2-Amino-N-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamidShow More⌵

Mol. Formula:
C8H16N2O6

M.W.:
236.22

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
-4.14

Polar Surface Area:
145.27

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3351149

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid (2-hydrShow More⌵

Mol. Formula:
C9H17NO7

M.W.:
251.24

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-4.06

Polar Surface Area:
139.48

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3351148

Name:
3,8,9,10-Tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-Show More⌵

Mol. Formula:
C8H12N2O8

M.W.:
264.19

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-3.90

Polar Surface Area:
159.79

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3351147

Name:
2-Bromo-N-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamidShow More⌵

Mol. Formula:
C8H14BrNO6

M.W.:
300.11

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.70

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3351146

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid (2,2,2-Show More⌵

Mol. Formula:
C9H14F3NO6

M.W.:
289.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.49

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3351145

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid cycloprShow More⌵

Mol. Formula:
C10H17NO6

M.W.:
247.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.89

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3351144

Name:
8,9,10-Trihydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dionShow More⌵

Mol. Formula:
C8H12N2O7

M.W.:
248.19

15 activity values

4 unique targets

Type:
Small molecule

AlogP:
-4.00

Polar Surface Area:
148.35

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3351142

Name:
N-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-propionamide

Mol. Formula:
C9H17NO6

M.W.:
235.24

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
-2.69

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3351141

Name:
2-Acetylamino-N-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acShow More⌵

Mol. Formula:
C10H18N2O7

M.W.:
278.26

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.96

Polar Surface Area:
148.35

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3351139

Name:
N-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-butyramide

Mol. Formula:
C10H19NO6

M.W.:
249.26

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.30

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3351138

Name:
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-urea

Mol. Formula:
C7H14N2O6

M.W.:
222.20

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
-3.55

Polar Surface Area:
145.27

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3351137

Name:
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-carbamic acid benzShow More⌵

Mol. Formula:
C14H19NO7

M.W.:
313.31

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.29

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3351136

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid N'-methShow More⌵

Mol. Formula:
C8H16N2O6

M.W.:
236.22

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.92

Polar Surface Area:
131.28

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3351135

Name:
N-Phenyl-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)Show More⌵

Mol. Formula:
C14H19NO6S

M.W.:
329.37

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.84

Polar Surface Area:
119.25

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3351134

Name:
N-(2,4-Difluoro-phenyl)-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyraShow More⌵

Mol. Formula:
C14H17F2NO6S

M.W.:
365.35

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.56

Polar Surface Area:
119.25

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3351133

Name:
2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-acetamidShow More⌵

Mol. Formula:
C8H15NO6S

M.W.:
253.28

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
133.24

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3351132

Name:
2-Chloro-N-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamiShow More⌵

Mol. Formula:
C8H14ClNO6

M.W.:
255.65

9 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.86

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS