Compounds

Type:
Small molecule

AlogP:
-2.04

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3589567

Name:
(2R,3R,4S)-2-((1R,2R)-3-azido-1,2-dihydroxypropyl)
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Mol. Formula:
C11H15N7O7

M.W.:
357.28

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.46

Polar Surface Area:
233.84

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3558288

Name:
5-Isobutyramido-2,6-anhydro-3,5-dideoxy-D-glycero-
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Mol. Formula:
C13H21NO8

M.W.:
319.31

Type:
Small molecule

AlogP:
-2.43

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4100761

Name:
5-Acetamido-9-(4-carboxyphenyl)-2,6-anhydro-4-(3-(
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Mol. Formula:
C24H28N6O11

M.W.:
576.52

Type:
Small molecule

AlogP:
-1.62

Polar Surface Area:
262.53

HBA:
11

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4096864

Name:
5-Acetamido-9-(4-fluorophenyl)-2,6-anhydro-3,5-did
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Mol. Formula:
C19H21FN4O7

M.W.:
436.40

Type:
Small molecule

AlogP:
-0.96

Polar Surface Area:
167.03

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4093209

Name:
5-Acetamido-2,6-anhydro-4-cyclopropanecarboxamido-
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Mol. Formula:
C15H22N2O8

M.W.:
358.35

Type:
Small molecule

AlogP:
-2.53

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4089157

Name:
5-Acetamido-9-(4-methylphenyl)-2,6-anhydro-3,5-did
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Mol. Formula:
C20H24N4O7

M.W.:
432.43

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
167.03

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4084911

Name:
5-Acetamido-9-(4-amidophenyl)-2,6-anhydro-3,5-dide
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Mol. Formula:
C19H23N5O7

M.W.:
433.42

Type:
Small molecule

AlogP:
-1.52

Polar Surface Area:
193.05

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4084317

Name:
5-Acetamido-2,6-anhydro-4-propionamido-3,4,5-tride
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Mol. Formula:
C14H22N2O8

M.W.:
346.34

Type:
Small molecule

AlogP:
-2.53

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4081811

Name:
5-Acetamido-9-(4-(methoxycarbonyl)phenyl)-2,6-anhy
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Mol. Formula:
C20H21N7O8

M.W.:
487.43

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
232.86

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4080360

Name:
5-Acetamido-9-(4-(dimethylamino)phenyl)-2,6-anhydr
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Mol. Formula:
C21H27N5O7

M.W.:
461.48

Type:
Small molecule

AlogP:
-1.03

Polar Surface Area:
170.27

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4076483

Name:
5-Acetamido-9-pentanamido-2,6-anhydro-3,5-dideoxy-
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Mol. Formula:
C16H26N2O8

M.W.:
374.39

26 activity values

7 unique targets

Type:
Small molecule

AlogP:
-1.75

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4076383

Name:
5-Acetamido-9-(4-acetamidophenyl)-2,6-anhydro-3,5-
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Mol. Formula:
C21H25N5O8

M.W.:
475.46

Type:
Small molecule

AlogP:
-1.14

Polar Surface Area:
196.13

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4075574

Name:
5-Acetamido-2,6-anhydro-4-pentanamido-3,4,5-trideo
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Mol. Formula:
C16H26N2O8

M.W.:
374.39

Type:
Small molecule

AlogP:
-1.75

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4073992

Name:
5-Acetamido-7,8-di-O-acetyl-9-(4-(methoxycarbonyl)
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Mol. Formula:
C20H23N5O8

M.W.:
461.43

Type:
Small molecule

AlogP:
-1.44

Polar Surface Area:
210.12

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4071732

Name:
5-Acetamido-9-(4-carboxyphenyl)-2,6-anhydro-3,5-di
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Mol. Formula:
C20H22N4O9

M.W.:
462.42

Type:
Small molecule

AlogP:
-1.40

Polar Surface Area:
204.33

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4069646

Name:
5-Acetamido-9-(4-(trifluoromethyl)phenyl)-2,6-anhy
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Mol. Formula:
C20H21F3N4O7

M.W.:
486.40

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
167.03

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4064112

Name:
5-Acetamido-9-(4-carboxyphenyl)-2,6-anhydro-4-guan
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Mol. Formula:
C21H25N7O8

M.W.:
503.47

Type:
Small molecule

AlogP:
-1.91

Polar Surface Area:
246.00

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4062382

Name:
5-Acetamido-9-(4-phenoxyphenyl)-2,6-anhydro-3,5-di
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Mol. Formula:
C25H26N4O8

M.W.:
510.50