Compounds

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4293702

Name:
2-Amino-4-(4-bromophenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chroShow More⌵

Mol. Formula:
C27H31BrN2O4

M.W.:
527.46

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4293683

Name:
2-Amino-6-hydroxy-5,8-dioxo-4-(pyridin-4-yl)-7-undecyl-5,8-dihydro-4H-chromShow More⌵

Mol. Formula:
C26H31N3O4

M.W.:
449.55

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
126.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4292897

Name:
2-Amino-6-hydroxy-5,8-dioxo-4-phenyl-7-undecyl-5,8-dihydro-4H-chromene-3-caShow More⌵

Mol. Formula:
C27H32N2O4

M.W.:
448.56

5 activity values

Type:
Small molecule

AlogP:
5.63

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4291842

Name:
2-Amino-6-hydroxy-5,8-dioxo-4-(4-(trifluoromethyl)phenyl)-7-undecyl-5,8-dihShow More⌵

Mol. Formula:
C28H31F3N2O4

M.W.:
516.56

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4291415

Name:
2-Amino-4-(4-cyanophenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chroShow More⌵

Mol. Formula:
C28H31N3O4

M.W.:
473.57

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
137.20

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4290850

Name:
Methyl 2-amino-6-hydroxy-4-(4-nitrophenyl)-5,8-dioxo-7-undecyl-5,8-dihydro-Show More⌵

Mol. Formula:
C28H34N2O8

M.W.:
526.59

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
159.06

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4290277

Name:
2-Amino-4-cyclohexyl-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chromene-Show More⌵

Mol. Formula:
C27H38N2O4

M.W.:
454.61

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4289197

Name:
2-Amino-4-(3,4-dimethoxyphenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4Show More⌵

Mol. Formula:
C29H36N2O6

M.W.:
508.62

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
131.87

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4288011

Name:
2-Amino-4-(3-fluorophenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chrShow More⌵

Mol. Formula:
C27H31FN2O4

M.W.:
466.55

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4287019

Name:
2-Amino-7-hexyl-6-hydroxy-4-(4-nitrophenyl)-5,8-dioxo-5,8-dihydro-4H-chromeShow More⌵

Mol. Formula:
C22H21N3O6

M.W.:
423.43

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
156.55

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4286864

Name:
2-Amino-4-ethyl-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chromene-3-carShow More⌵

Mol. Formula:
C23H32N2O4

M.W.:
400.52

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4285807

Name:
2-Amino-6-hydroxy-5,8-dioxo-4-(pyridin-3-yl)-7-undecyl-5,8-dihydro-4H-chromShow More⌵

Mol. Formula:
C26H31N3O4

M.W.:
449.55

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
126.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4285050

Name:
2-Amino-6-hydroxy-4-(4-methoxyphenyl)-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chShow More⌵

Mol. Formula:
C28H34N2O5

M.W.:
478.59

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
122.64

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4284969

Name:
2-Amino-4-(4-chlorophenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chrShow More⌵

Mol. Formula:
C27H31ClN2O4

M.W.:
483.01

3 unique targets

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
113.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4284630

Name:
4-(2-Amino-3-cyano-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chromen-4-yShow More⌵

Mol. Formula:
C28H32N2O6

M.W.:
492.57

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
150.71

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4283669

Name:
2-Amino-7-ethyl-6-hydroxy-4-(4-nitrophenyl)-5,8-dioxo-5,8-dihydro-4H-chromeShow More⌵

Mol. Formula:
C18H13N3O6

M.W.:
367.32

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
156.55

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4283573

Name:
2-Amino-6-hydroxy-4-(4-nitrophenyl)-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chroShow More⌵

Mol. Formula:
C27H31N3O6

M.W.:
493.56

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
156.55

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4283510

Name:
2-Amino-6-hydroxy-4-(4-nitrophenyl)-7-octyl-5,8-dioxo-5,8-dihydro-4H-chromeShow More⌵

Mol. Formula:
C24H25N3O6

M.W.:
451.48

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
156.55

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4283443

Name:
2-Amino-4-(4-fluorophenyl)-6-hydroxy-5,8-dioxo-7-undecyl-5,8-dihydro-4H-chrShow More⌵

Mol. Formula:
C27H31FN2O4

M.W.:
466.55