Compounds

Type:
Unknown

AlogP:
-2.52

Polar Surface Area:
165.56

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4879116

Name:
3-Chloro-4-amino-1-beta-D-ribofuranosylpyrazolo[3,
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Mol. Formula:
C10H12ClN5O4

M.W.:
301.69

6 activity values

Type:
Unknown

AlogP:
-1.33

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4878985

Name:
3-(1H-imidazole-1-yl)-1-(o-tolyl)propan-1-one

Mol. Formula:
C13H14N2O

M.W.:
214.27

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4878939

Name:
(2S,3aR,9bR)-7,8-dihydroxy-2-propyl-6-((4-(trifluo
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Mol. Formula:
C22H21F3O6

M.W.:
438.40

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4878645

Name:
2-(3-iodophenyl)naphthalene-1,4-dione

Mol. Formula:
C16H9IO2

M.W.:
360.15

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4878350

Name:
(2S,3aR,9bR)-6-((3,5-bis(trifluoromethyl)benzyl)ox
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Mol. Formula:
C23H20F6O6

M.W.:
506.40

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4876776

Name:
3(7)-Z-3-Hexadecylidene-5R-(hydroxymethyl)tetrahyd
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Mol. Formula:
C21H38O3

M.W.:
338.53

10 activity values

10 unique targets

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4875805

Name:
3-(4-Chlorophenyl)-4-amino-1-(3'-deoxy-beta-D-ribo
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Mol. Formula:
C16H16ClN5O3

M.W.:
361.79

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
119.31

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4875757

Name:
3-(5-Chlorothiophen-2-yl)-4-amino-1-beta-D-ribofur
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Mol. Formula:
C14H14ClN5O4S

M.W.:
383.82

Type:
Unknown

AlogP:
0.40

Polar Surface Area:
139.54

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4875349

Name:
3-(3,4-Dichlorophenyl)-4-amino-1-beta-D-ribofurano
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Mol. Formula:
C16H15Cl2N5O4

M.W.:
412.23

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4875128

Name:
2-(4-tert-butylphenyl)naphthalene-1,4-dione

Mol. Formula:
C20H18O2

M.W.:
290.36

2 activity values

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4874704

Name:
2-(2-hydroxy-5-methylphenyl)naphthalene-1,4-dione

Mol. Formula:
C17H12O3

M.W.:
264.28

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4874629

Name:
3-Bromo-4-oxo-1-(3'-deoxy-beta-D-ribofuranosyl)pyr
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Mol. Formula:
C10H11BrN4O4

M.W.:
331.13

4 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.48

Polar Surface Area:
113.26

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4874441

Name:
(2S,3aR,9bR)-7,8-dihydroxy-2-propyl-6-((3-(trifluo
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Mol. Formula:
C22H21F3O6

M.W.:
438.40

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4874252

Name:
2-(2,5-dimethylphenyl)naphthalene-1,4-dione

Mol. Formula:
C18H14O2

M.W.:
262.31

2 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4873603

Name:
3-(3,5-Difluoro-4-chlorophenyl)-4-amino-1-beta-D-r
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Mol. Formula:
C16H14ClF2N5O4

M.W.:
413.77

Type:
Unknown

AlogP:
0.62

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4872889

Name:
3-(Morpholinomethyl)-4-amino-1-(beta-D-ribofuranos
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Mol. Formula:
C15H22N6O5

M.W.:
366.38

4 activity values

4 unique targets

Type:
Unknown

AlogP:
-2.15

Polar Surface Area:
152.01

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4872881

Name:
4-(4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydro
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Mol. Formula:
C24H18ClN7O4

M.W.:
503.91

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
187.12

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4872859

Name:
5-hydroxy-2-p-tolylnaphthalene-1,4-dione

Mol. Formula:
C17H12O3

M.W.:
264.28

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4872365

Name:
3-Methylamido-4-amino-1-(beta-D-ribofuranosyl)pyra
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Mol. Formula:
C12H16N6O5

M.W.:
324.30