Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4879223

Name:
(2R,4S,5R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-((2R
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Mol. Formula:
C165H270N30O99

M.W.:
4258.09

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4848169

Name:
(2R,4S,5R)-5-acetamido-2-(((2R,3R,4S,5R,6S)-6-((2R
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Mol. Formula:
C90H148N6O66

M.W.:
2370.15

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3350286

Name:
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3
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Mol. Formula:
C13H20N2O4

M.W.:
268.31

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
94.73

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3350285

Name:
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3
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Mol. Formula:
C14H22N2O4

M.W.:
282.34

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3350284

Name:
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3
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Mol. Formula:
C12H17NO5

M.W.:
255.27

19 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
91.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3349555

Name:
(R)-Azepane-3,4,5,6-tetraol

Mol. Formula:
C6H13NO4

M.W.:
163.17

1 activity values

Type:
Small molecule

AlogP:
-2.97

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2442788

Name:
(1R,2R,3R,4R,5S)-1-(4-fluorophenylcarbamoylmethyl)
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Mol. Formula:
C14H19FN2O4

M.W.:
298.31

Type:
Small molecule

AlogP:
-0.40

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2442787

Name:
(1R,2R,3R,4R,5S)-1-(3-fluorophenylcarbamoylmethyl)
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Mol. Formula:
C14H19FN2O4

M.W.:
298.31

Type:
Small molecule

AlogP:
-0.40

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2442786

Name:
(1R,2R,3R,4R,5S)-1-(2-fluorophenylcarbamoylmethyl)
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Mol. Formula:
C14H19FN2O4

M.W.:
298.31

11 activity values

6 unique targets

Type:
Small molecule

AlogP:
-0.40

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2442783

Name:
(1R,2R,3R,4R,5S)-1-(4-methylphenylcarbamoylmethyl)
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Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2442782

Name:
(1R,2R,3R,4R,5S)-1-(3-methylphenylcarbamoylmethyl)
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Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2442779

Name:
(1R,2R,3R,4R,5S)-1-(4-methoxyphenylcarbamoylmethyl
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Mol. Formula:
C15H22N2O5

M.W.:
310.35

Type:
Small molecule

AlogP:
-0.53

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2442778

Name:
(1R,2R,3R,4R,5S)-1-(benzylcarbamoylmethyl)deoxyfuc
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Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
-0.86

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2207396

Name:
Pyrrolidine-3,4-diol

Cas Number:
131565-87-2

Mol. Formula:
C4H9NO2

M.W.:
103.12

25 activity values

14 unique targets

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
52.49

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.34

DETAILS

ALA2115566

Name:
2-Methyl-3,4-dihydro-2H-pyran-3,4-diol

Mol. Formula:
C6H10O3

M.W.:
130.14

1 activity values

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.47

DETAILS

ALA2115527

Name:
2-Methyl-3,4-dihydro-2H-pyran-3,4-diol

Mol. Formula:
C6H10O3

M.W.:
130.14

2 activity values

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.47

DETAILS

ALA2115524

Name:
2-Methyl-piperidine-3,4,5-triol

Mol. Formula:
C6H13NO3

M.W.:
147.17

1 activity values

Type:
Small molecule

AlogP:
-1.94

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2115269

Name:
(1R,2S,3S)-4-Amino-6-methyl-cyclohexane-1,2,3-trio
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Mol. Formula:
C7H15NO3

M.W.:
161.20

5 activity values

Type:
Small molecule

AlogP:
-1.56

Polar Surface Area:
86.71

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2114289

Name:
4-Methyl-6-phenethylamino-cyclohexane-1,2,3-triol

Mol. Formula:
C15H23NO3

M.W.:
265.35

7 activity values