Compounds

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
267.92

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1095319

Name:
5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy
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Mol. Formula:
C31H50F3N5O14

M.W.:
773.76

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
267.92

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA1095318

Name:
5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy
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Mol. Formula:
C33H45F3N4O14

M.W.:
778.73

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
255.89

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1095317

Name:
5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy
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Mol. Formula:
C30H47F3N4O14

M.W.:
744.71

Type:
Small molecule

AlogP:
-1.56

Polar Surface Area:
255.89

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA1095316

Name:
6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)
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Mol. Formula:
C30H50F3N5O12

M.W.:
729.75

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
244.61

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA1095315

Name:
6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)
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Mol. Formula:
C32H46F3N5O12

M.W.:
749.74

Type:
Small molecule

AlogP:
-1.18

Polar Surface Area:
244.61

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4548866

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C27H38N10O9

M.W.:
646.66

Type:
Unknown

AlogP:
-4.29

Polar Surface Area:
265.59

HBA:
18

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4524880

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C21H32N6O10

M.W.:
528.52

Type:
Unknown

AlogP:
-3.93

Polar Surface Area:
240.43

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4555693

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C32H36N6O11

M.W.:
680.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.39

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5276580

Name:
(2R,3S,5R)-5-((((2R,3R,4S,5R)-5-(aminomethyl)-3,4-
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Mol. Formula:
C14H19F2N3O11S

M.W.:
475.38

Type:
---

AlogP:
-3.32

Polar Surface Area:
212.63

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5275884

Name:
(S)-2-amino-N-(2-(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-
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Mol. Formula:
C15H24N4O7

M.W.:
372.38

Type:
---

AlogP:
-3.02

Polar Surface Area:
160.11

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272467

Name:
(2S)-2-[[(1R)-2-[[(1S,2S)-2-[[(2S)-2,3-diaminoprop
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Mol. Formula:
C32H42N10O10

M.W.:
726.75

Type:
---

AlogP:
-2.74

Polar Surface Area:
309.09

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5271984

Name:
(((S)-1-(((2S,3S)-3-((S)-2-aminopropanamido)-1-(((
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Mol. Formula:
C31H39N9O11

M.W.:
713.71

Type:
---

AlogP:
-3.05

Polar Surface Area:
312.09

HBA:
12

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4556639

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminom
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Mol. Formula:
C16H21N3O9

M.W.:
399.36

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-4.42

Polar Surface Area:
189.49

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4538396

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C34H37F3N6O13

M.W.:
794.69

Type:
Unknown

AlogP:
-1.39

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4589522

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C37H38N6O11

M.W.:
742.74

8 activity values

7 unique targets

Type:
Unknown

AlogP:
-0.23

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4575214

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C26H42N6O9

M.W.:
582.66

Type:
Unknown

AlogP:
-0.95

Polar Surface Area:
220.20

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4569198

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C39H50N6O11

M.W.:
778.86

11 activity values

6 unique targets

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4514610

Name:
1-((2R,3R,4S,5S)-5-((S)-((2S,3R,4S,5R)-5-(aminomet
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Mol. Formula:
C21H33N7O9

M.W.:
527.54