Compounds

ALA5094563

Name:
1-(4-(azetidin-1-ylmethyl)-5-hydroxy-2-(5-hydroxy-4-methylpyridin-2-yl)benzShow More⌵

Mol. Formula:
C20H20N2O4

M.W.:
352.39

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
86.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5093986

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(5-hydroxypyridin-2-yShow More⌵

Mol. Formula:
C22H23N3O5

M.W.:
409.44

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
108.06

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5093338

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(4-methoxyphenyl)-N-mShow More⌵

Mol. Formula:
C24H26N2O5

M.W.:
422.48

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
84.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5092632

Name:
4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-5-hydroxy-2-(4-hydroxyphenyl)-N-Show More⌵

Mol. Formula:
C22H22N2O5

M.W.:
394.43

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5091803

Name:
(4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(4-hydroxyphenyl)benShow More⌵

Mol. Formula:
C25H25FN2O5

M.W.:
452.48

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
86.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5091583

Name:
azetidin-1-yl(5-hydroxy-2-(5-hydroxypyridin-2-yl)-4-(piperidin-1-ylmethyl)bShow More⌵

Mol. Formula:
C23H25N3O4

M.W.:
407.47

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
90.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5090580

Name:
4-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)-5-hydroxy-2-(4-hydroxyphenyl)-N-mShow More⌵

Mol. Formula:
C23H24N2O5

M.W.:
408.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5090267

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(1H-indol-5-yl)-N-metShow More⌵

Mol. Formula:
C25H25N3O4

M.W.:
431.49

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
90.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5090255

Name:
(3-fluoroazetidin-1-yl)(5-hydroxy-4-(((1-hydroxycyclopropyl)methylamino)metShow More⌵

Mol. Formula:
C23H23FN2O5

M.W.:
426.44

9 activity values

5 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
106.17

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5087069

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-N-methyl-2-phenylbenzofShow More⌵

Mol. Formula:
C23H24N2O4

M.W.:
392.46

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
74.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5086988

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-2-(2,6-difluoro-4-hydroxyphenyl)-Show More⌵

Mol. Formula:
C23H22F2N2O5

M.W.:
444.43

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5086229

Name:
4-((3,3-difluoropiperidin-1-yl)methyl)-5-hydroxy-2-(4-hydroxyphenyl)-N-methShow More⌵

Mol. Formula:
C22H22F2N2O4

M.W.:
416.42

5 activity values

5 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5086050

Name:
4-((1-oxa-6-azaspiro[3.3]heptan-6-yl)methyl)-5-hydroxy-2-(4-hydroxyphenyl)-Show More⌵

Mol. Formula:
C22H22N2O5

M.W.:
394.43

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5085116

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(4-hydroxy-3-methylphShow More⌵

Mol. Formula:
C24H26N2O5

M.W.:
422.48

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5084912

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(4-hydroxy-2-methylphShow More⌵

Mol. Formula:
C24H26N2O5

M.W.:
422.48

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5084676

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(3-hydroxyphenyl)-N-mShow More⌵

Mol. Formula:
C23H24N2O5

M.W.:
408.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5084615

Name:
5-hydroxy-2-(5-hydroxypyridin-2-yl)-N-methyl-4-(pyrrolidin-1-ylmethyl)benzoShow More⌵

Mol. Formula:
C20H21N3O4

M.W.:
367.41

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
98.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5084527

Name:
4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-2-(2-fluoro-4-hydroxyphenyl)-5-hyShow More⌵

Mol. Formula:
C23H23FN2O5

M.W.:
426.44

9 activity values

5 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5084231

Name:
1-(4-(2-oxa-6-azaspiro[3.4]octan-6-ylmethyl)-5-hydroxy-2-(5-hydroxypyridin-Show More⌵

Mol. Formula:
C22H22N2O5

M.W.:
394.43

9 activity values

5 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
96.03

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5083712

Name:
4-((4-fluoropiperidin-1-yl)methyl)-5-hydroxy-2-(4-hydroxyphenyl)-N-methylbeShow More⌵

Mol. Formula:
C22H23FN2O4

M.W.:
398.43

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS