Compounds

ALA558300

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-(2-Show More⌵

Mol. Formula:
C22H17FN2O3

M.W.:
376.39

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA562944

Name:
4-((1R,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-pheShow More⌵

Mol. Formula:
C22H18N2O3

M.W.:
358.40

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA556476

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-2-metShow More⌵

Mol. Formula:
C26H21N3O3

M.W.:
423.47

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA559290

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-3-metShow More⌵

Mol. Formula:
C26H21N3O3

M.W.:
423.47

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA558689

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-pyrShow More⌵

Mol. Formula:
C22H19N3O3

M.W.:
373.41

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA564111

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-(4-Show More⌵

Mol. Formula:
C23H17F3N2O3

M.W.:
426.39

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA550764

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-(4-Show More⌵

Mol. Formula:
C22H17FN2O3

M.W.:
376.39

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA564714

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-(7-Show More⌵

Mol. Formula:
C26H21N3O3

M.W.:
423.47

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA550569

Name:
N-(2-Chloro-phenyl)-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]Show More⌵

Mol. Formula:
C22H17ClN2O3

M.W.:
392.84

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA551969

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-metShow More⌵

Mol. Formula:
C26H21N3O3

M.W.:
423.47

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
70.58

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA551968

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-ylmethyl)Show More⌵

Mol. Formula:
C27H29N3O3

M.W.:
443.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA562892

Name:
3-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-Show More⌵

Mol. Formula:
C25H18ClN3O3

M.W.:
443.89

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA551775

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-pyrShow More⌵

Mol. Formula:
C22H19N3O3

M.W.:
373.41

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA550093

Name:
N-(2,4-Difluoro-phenyl)-4-((1R,2S,6R,7S)-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]Show More⌵

Mol. Formula:
C22H16F2N2O3

M.W.:
394.38

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA551506

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-N-methyl-NShow More⌵

Mol. Formula:
C25H21N3O3

M.W.:
411.46

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA551505

Name:
4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-metShow More⌵

Mol. Formula:
C25H19N3O3

M.W.:
409.45

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA550499

Name:
1-[4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-phShow More⌵

Mol. Formula:
C25H20N4O3

M.W.:
424.46

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA554302

Name:
N-(3,4-Dibromo-phenyl)-4-((1R,2S,6R,7S)-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dShow More⌵

Mol. Formula:
C22H16Br2N2O3

M.W.:
516.19

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA551249

Name:
N-(4-Bromo-phenyl)-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dShow More⌵

Mol. Formula:
C22H17BrN2O3

M.W.:
437.29

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA565052

Name:
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-(3-Show More⌵

Mol. Formula:
C22H17FN2O3

M.W.:
376.39

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS