Compounds

ALA594348

Name:
1,5-Anhydro-2-azido-2-deoxy-D-galactitol

Mol. Formula:
C6H11N3O4

M.W.:
189.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
118.68

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA594347

Name:
(2S,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)tetrahydro-2H-pyran

Mol. Formula:
C11H22O6

M.W.:
250.29

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
55.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA595499

Name:
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)tetrahydro-2H-pyran

Mol. Formula:
C11H22O6

M.W.:
250.29

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
55.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA593415

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-[(4-methylpiperazin-1-yl)-phenoShow More⌵

Mol. Formula:
C20H29N5O5

M.W.:
419.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.74

Polar Surface Area:
116.34

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

(3R,4R,5R,6R)-3-Acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl triacetate

Name:
(3R,4R,5R,6R)-3-acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl Show More⌵

Mol. Formula:
C16H23NO10

M.W.:
389.36

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
143.53

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA605936

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-(4-trifluoromethylsulfonamidophShow More⌵

Mol. Formula:
C16H19F3N4O7S

M.W.:
468.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
156.03

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA606129

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-(sodium 4-carboxyphenoxy)methylShow More⌵

Mol. Formula:
C16H18N3NaO7

M.W.:
387.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
147.16

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA604170

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-(pentafluorophenoxy)methyl-1,2,Show More⌵

Mol. Formula:
C15H14F5N3O5

M.W.:
411.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
109.86

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA605299

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-(4-nitrophenoxy)methyl-1,2,3-trShow More⌵

Mol. Formula:
C15H18N4O7

M.W.:
366.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
153.00

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA609294

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-4-(4-cyanophenoxy)methyl-1,2,3-trShow More⌵

Mol. Formula:
C16H18N4O5

M.W.:
346.34

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.62

Polar Surface Area:
133.65

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA595980

Name:
1-(1,5-Anhydro-2-deoxy-D-galactitol-2-yl)-phenoxymethyl-1,2,3-triazole

Mol. Formula:
C15H19N3O5

M.W.:
321.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.49

Polar Surface Area:
109.86

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS