Compounds

Type:
Unknown

AlogP:
1.07

Polar Surface Area:
140.59

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4462117

Name:
6(I)-O-(1-(1-Amino-5,6-oxomethylidene-1-deoxymanno
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Mol. Formula:
C78H135N5O40

M.W.:
1782.93

38 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4465842

Name:
Heptakis[2,3-di-O-methyl-6-O-(1-amino-5,6-oxomethy
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Mol. Formula:
C168H273N35O70

M.W.:
3903.21

19 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4471561

Name:
1-Amino-N-octyl-5,6-oxomethylidene-1-deoxymannojir
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Mol. Formula:
C15H28N2O5

M.W.:
316.40

11 activity values

Type:
Unknown

AlogP:
0.18

Polar Surface Area:
102.26

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5077606

Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(3-(4-(hydroxyme
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Mol. Formula:
C12H22N4O5

M.W.:
302.33

6 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.08

Polar Surface Area:
135.10

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4457217

Name:
N-(9-azidoaminononyl)-5,6-oxomethylidene-1-deoxyma
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Mol. Formula:
C16H29N5O5

M.W.:
371.44

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
151.02

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4440535

Name:
(1S,2R,3R,5R,6S,7S,7aR)-3-(hydroxymethyl)-5-methyl
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Mol. Formula:
C9H17NO5

M.W.:
219.24

17 activity values

7 unique targets

Type:
Unknown

AlogP:
-3.12

Polar Surface Area:
104.39

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4437435

Name:
(1S,2R,3R,5S,6S,7R,7aR)-3-(hydroxymethyl)-5-methyl
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Mol. Formula:
C9H17NO5

M.W.:
219.24

17 activity values

7 unique targets

Type:
Unknown

AlogP:
-3.12

Polar Surface Area:
104.39

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4435118

Name:
N-(6-azidoaminohexyl)-5,6-oxomethylidene-1-deoxyma
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Mol. Formula:
C13H23N5O5

M.W.:
329.36

Type:
Unknown

AlogP:
-0.31

Polar Surface Area:
151.02

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3966025

Name:
2-acetamido-1,2-dideoxyallonojirimycin

Mol. Formula:
C8H16N2O4

M.W.:
204.23

Type:
Small molecule

AlogP:
-2.82

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3955165

Name:
N-((6S,7S,8R,8aS,Z)-3-(Butylimino)-7,8-dihydroxyhe
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Mol. Formula:
C13H23N3O3S

M.W.:
301.41

14 activity values

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
85.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3936181

Name:
N-((3S,4S,5R,6R)-1-(Butylcarbamothioyl)-4,5-dihydr
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Mol. Formula:
C13H25N3O4S

M.W.:
319.43

14 activity values

Type:
Small molecule

AlogP:
-1.44

Polar Surface Area:
105.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3933402

Name:
N-((3S,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-1
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Mol. Formula:
C17H33N3O4S

M.W.:
375.54

5 unique targets

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
105.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3895004

Name:
N-((3S,4S,5R,6R)-1-(Benzylcarbamothioyl)-4,5-dihyd
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Mol. Formula:
C16H23N3O4S

M.W.:
353.44

14 activity values