Compounds

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
106.42

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4879019

Name:
1-(14-(4-(ethoxycarbonyl)-2-hydroxy-6-methylbenzoy
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Mol. Formula:
C44H59BrN2O6

M.W.:
791.87

Type:
Unknown

AlogP:
9.28

Polar Surface Area:
100.18

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4878845

Name:
2-(2',5'-Dihydroxyphenyl)-5-(2"-hydroxyphenyl)-1,3
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Mol. Formula:
C14H10N2O4

M.W.:
270.24

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
99.61

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4878802

Name:
1-(14-((3-chloro-4,6-dihydroxy-2-methylbenzoyl)oxy
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Mol. Formula:
C28H41BrClNO4

M.W.:
571.00

8 activity values

Type:
Unknown

AlogP:
7.19

Polar Surface Area:
70.64

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4878493

Name:
2-(2',3'-Dimethoxyphenyl)-5-phenyloxazole

Mol. Formula:
C17H15NO3

M.W.:
281.31

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4878319

Name:
4-oxo-5-phenyl-N7-(3'-deoxy-3'-fluoro-beta-D-ribof
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Mol. Formula:
C17H16FN3O4

M.W.:
345.33

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
100.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4878243

Name:
4-Amino-5-(3,4-dichlorophenyl)-N7-(3'-deoxy-3'-flu
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Mol. Formula:
C17H15Cl2FN4O3

M.W.:
413.24

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
106.42

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4877477

Name:
2-(2',3'-Dimethoxyphenyl)-5-(2",3",4"-trimethoxyph
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Mol. Formula:
C20H21NO6

M.W.:
371.39

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
72.18

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4877236

Name:
2-(2',3'-Dimethoxyphenyl)-4-(2"-methoxyphenyl)oxaz
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Mol. Formula:
C18H17NO4

M.W.:
311.34

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
53.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4875571

Name:
N-((S)-1-((S,E)-1-fluoro-5-phenyl-1-(phenylsulfony
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Mol. Formula:
C36H35FN2O6S

M.W.:
642.75

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4875301

Name:
(2R,3S,4S,5R)-2-(4-amino-5-(dibenzo[b,d]furan-4-yl
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Mol. Formula:
C23H19FN4O4

M.W.:
434.43

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4874598

Name:
4-oxo-N7-(3'-deoxy-3'-fluoro-beta-D-ribofuranosyl)
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Mol. Formula:
C11H12FN3O4

M.W.:
269.23

Type:
Unknown

AlogP:
-0.69

Polar Surface Area:
100.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4873996

Name:
1-(14-bromotetradecyl)-4-(2-(8-hydroxy-1,2,3,5,6,7
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Mol. Formula:
C33H48Br2N2O

M.W.:
648.57

Type:
Unknown

AlogP:
8.63

Polar Surface Area:
27.35

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4873189

Name:
2-(2',5'-Diacetoxyphenyl)-5-(2"-acetoxyphenyl)oxaz
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Mol. Formula:
C21H17NO7

M.W.:
395.37

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
104.93

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4873180

Name:
2-(2',3'-Dimethoxyphenyl)-5-(2"-n-propoxyphenyl)ox
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Mol. Formula:
C20H21NO4

M.W.:
339.39

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
53.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4873064

Name:
4-Amino-5-(3-methyl-4-chlorophenyI)-N7-(3'-deoxy-3
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Mol. Formula:
C18H18ClFN4O3

M.W.:
392.82

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
106.42

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4872515

Name:
4-(2-(8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-
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Mol. Formula:
C42H57BrN2O5

M.W.:
749.83

8 activity values

Type:
Unknown

AlogP:
9.11

Polar Surface Area:
83.11

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4872128

Name:
2-amino-4-oxo-N7-(3'-deoxy-3'-fluoro-beta-D-ribofu
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Mol. Formula:
C11H13FN4O4

M.W.:
284.25

Type:
Unknown

AlogP:
-1.10

Polar Surface Area:
126.39

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4871965

Name:
4-oxo-5-bromo-N7-(3'-deoxy-3'-fluoro-beta-D-ribofu
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Mol. Formula:
C11H11BrFN3O4

M.W.:
348.13

Type:
Unknown

AlogP:
0.08

Polar Surface Area:
100.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4871939

Name:
2-(2',5'-Diacetoxypheny1)-5-(2",5"-diacetoxyphenyl
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Mol. Formula:
C23H19NO9

M.W.:
453.40