Compounds

ALA4590677

Name:
2-(1-((2-(Trifluoromethyl)thiazol-5-yl)methyl)-4-hydroxy-2-oxo-1,2,5,7-tetrShow More⌵

Mol. Formula:
C15H12F3N3O6S

M.W.:
419.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.92

Polar Surface Area:
130.75

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4582939

Name:
2-(4-hydroxy-2-oxo-1-(4-(trifluoromethyl)benzyl)-2,5,7,8-tetrahydro-1H-pyraShow More⌵

Mol. Formula:
C19H17F3N2O6

M.W.:
426.35

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4582737

Name:
2-(1-((2-(Trifluoromethyl)pyrimidin-5-yl)methyl)-4-hydroxy-2-oxo-1,2,5,7-teShow More⌵

Mol. Formula:
C16H13F3N4O6

M.W.:
414.30

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.26

Polar Surface Area:
143.64

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4577928

Name:
2-(4-hydroxy-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2,5,7-tetrahydrofuro[3,4Show More⌵

Mol. Formula:
C18H15F3N2O6

M.W.:
412.32

26 activity values

13 unique targets

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4573825

Name:
2-(1-(4-Cyano-2-fluorobenzyl)-4-hydroxy-2-oxo-2,5,7,8-tetrahydro-1H-pyrano[Show More⌵

Mol. Formula:
C19H16FN3O6

M.W.:
401.35

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.50

Polar Surface Area:
141.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4567141

Name:
2-(1-((5-(Trifluoromethyl)pyrazin-2-yl)methyl)-4-hydroxy-2-oxo-1,2,5,7-tetrShow More⌵

Mol. Formula:
C16H13F3N4O6

M.W.:
414.30

6 activity values

4 unique targets

Type:
Unknown

AlogP:
0.26

Polar Surface Area:
143.64

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4564341

Name:
2-(7-chloro-4-hydroxy-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydroquinolShow More⌵

Mol. Formula:
C20H14ClF3N2O5

M.W.:
454.79

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
108.63

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4561977

Name:
2-(1-(4-Trifluoromethoxybenzyl)-4-hydroxy-2-oxo-1,2,5,7-tetrahydrofuro[3,4-Show More⌵

Mol. Formula:
C18H15F3N2O7

M.W.:
428.32

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
127.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4552680

Name:
2-(7-hydroxy-5-oxo-3-(6-(trifluoromethyl)pyridin-3-yl)-3,5-dihydro-2H-[1,4]Show More⌵

Mol. Formula:
C20H14F3N3O6

M.W.:
449.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
130.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4529447

Name:
2-(1-(2,4-Difluorobenzyl)-4-hydroxy-2-oxo-1,2,5,7-tetrahydrofuro[3,4-b]pyriShow More⌵

Mol. Formula:
C17H14F2N2O6

M.W.:
380.30

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4516521

Name:
2-(1-((5-(Trifluoromethyl)pyrimidin-2-yl)methyl)-4-hydroxy-2-oxo-1,2,5,7-teShow More⌵

Mol. Formula:
C16H13F3N4O6

M.W.:
414.30

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.26

Polar Surface Area:
143.64

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4483401

Name:
2-(4-Hydroxy-1-(4-(2-hydroxypropan-2-yl)benzyl)-2-oxo-1,2,5,7-tetrahydr ofuShow More⌵

Mol. Formula:
C20H22N2O7

M.W.:
402.40

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.67

Polar Surface Area:
138.09

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4473810

Name:
2-(7-hydroxy-3-(4-methoxyphenyl)-5-oxo-3,5-dihydro-2H-[1,4]oxazino[2,3,4-ijShow More⌵

Mol. Formula:
C21H18N2O7

M.W.:
410.38

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
127.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4471891

Name:
2-(1-(4-Chlorobenzyl)-4-hydroxy-2-oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyShow More⌵

Mol. Formula:
C18H17ClN2O6

M.W.:
392.80

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4469994

Name:
2-(4-Hydroxy-2-oxo-1-(4-(trifluoromethyl)benzyl)-2,5,6,8-tetrahydro-1H-pyraShow More⌵

Mol. Formula:
C19H17F3N2O6

M.W.:
426.35

6 activity values

4 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4462855

Name:
2-(1-(4-Chlorobenzyl)-4-hydroxy-2-oxo-1,2,5,7-tetrahydrofuro[3,4-b]pyridineShow More⌵

Mol. Formula:
C17H15ClN2O6

M.W.:
378.77

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.10

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4462741

Name:
2-(1-(2,4,5-Trifluorobenzyl)-4-hydroxy-2-oxo-1,2,5,7-tetrahydrofuro[3,4-b]pShow More⌵

Mol. Formula:
C17H13F3N2O6

M.W.:
398.29

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
117.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4461978

Name:
2-(4-Hydroxy-2-oxo-1-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,5,7,8-tetrShow More⌵

Mol. Formula:
C18H16F3N3O6

M.W.:
427.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.90

Polar Surface Area:
130.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4458708

Name:
2-(1-((6-(Trifluoromethyl)pyridin-3-yl)methyl)-4-hydroxy-2-oxo-1,2,5,7-tetrShow More⌵

Mol. Formula:
C17H14F3N3O6

M.W.:
413.31

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
130.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4454844

Name:
2-(7-Hydroxy-5-oxo-2-(4-(trifluoromethyl)phenyl)-3,5-dihydro-2H-[1,4]thiaziShow More⌵

Mol. Formula:
C21H15F3N2O5S

M.W.:
464.42

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
108.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS