Compounds

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2206678

Name:
(2R,4S,5S)-5-((S)-2-((R)-3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxopiShow More⌵

Mol. Formula:
C42H71ClN6O5

M.W.:
775.52

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
125.53

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2206677

Name:
(R)-Methyl 4-methyl-2-((1S,5S,7S)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxaShow More⌵

Mol. Formula:
C18H28N2O6

M.W.:
368.43

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
85.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2206676

Name:
(R)-Methyl 4-methyl-2-[(1R,5R,7R)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxaShow More⌵

Mol. Formula:
C18H28N2O6

M.W.:
368.43

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
85.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2206675

Name:
(S)-Methyl 4-methyl-2-[(1S,5S,7S)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxaShow More⌵

Mol. Formula:
C18H28N2O6

M.W.:
368.43

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
85.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2206674

Name:
(S)-Methyl 4-methyl-2-((1R,5R,7R)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxaShow More⌵

Mol. Formula:
C18H28N2O6

M.W.:
368.43

2 activity values

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
85.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2206673

Name:
(1S,5S)-3-benzyl-N-((R)-1-hydroxy-4-methylpentan-2-yl)-2-oxo-6,8-dioxa-3-azShow More⌵

Mol. Formula:
C19H26N2O5

M.W.:
362.43

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2206672

Name:
(1R,5R)-3-benzyl-N-((R)-1-hydroxy-4-methylpentan-2-yl)-2-oxo-6,8-dioxa-3-azShow More⌵

Mol. Formula:
C19H26N2O5

M.W.:
362.43

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2206671

Name:
(1S,5S)-3-benzyl-N-((S)-1-hydroxy-4-methylpentan-2-yl)-2-oxo-6,8-dioxa-3-azShow More⌵

Mol. Formula:
C19H26N2O5

M.W.:
362.43

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2206670

Name:
(1R,5R)-3-benzyl-N-((S)-1-hydroxy-4-methylpentan-2-yl)-2-oxo-6,8-dioxa-3-azShow More⌵

Mol. Formula:
C19H26N2O5

M.W.:
362.43

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2206669

Name:
(1S,5S,7S)-3-benzyl-7-(piperidine-1-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]Show More⌵

Mol. Formula:
C18H22N2O4

M.W.:
330.38

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA606335

Name:
(1R,5R,7R)-3-benzyl-N-(3-hydroxypropyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]Show More⌵

Mol. Formula:
C16H20N2O5

M.W.:
320.35

2 activity values

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA592182

Name:
(1R,5R,7R)-3-benzyl-N-((S)-1-hydroxypropan-2-yl)-2-oxo-6,8-dioxa-3-azabicycShow More⌵

Mol. Formula:
C16H20N2O5

M.W.:
320.35

4 activity values

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA591948

Name:
(1R,5R,7R)-3-benzyl-N-((S)-1-hydroxy-4-methylpentan-2-yl)-2-oxo-6,8-dioxa-3Show More⌵

Mol. Formula:
C19H26N2O5

M.W.:
362.43

24 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA600651

Name:
(1R,5R,7R)-3-benzyl-N-(2-hydroxyethyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]oShow More⌵

Mol. Formula:
C15H18N2O5

M.W.:
306.32

Type:
Small molecule

AlogP:
-0.75

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA589301

Name:
(1R,5R,7R)-3-benzyl-7-(piperidine-1-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]Show More⌵

Mol. Formula:
C18H22N2O4

M.W.:
330.38

26 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA589074

Name:
(1R,5S,7R)-3-benzyl-7-(thiomorpholine-4-carbonyl)-6,8-dioxa-3-azabicyclo[3.Show More⌵

Mol. Formula:
C17H20N2O4S

M.W.:
348.42

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
59.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA601830

Name:
(1R,5S,7R)-3-benzyl-7-(morpholine-4-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]Show More⌵

Mol. Formula:
C17H20N2O5

M.W.:
332.36

3 activity values

Type:
Small molecule

AlogP:
0.00

Polar Surface Area:
68.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA589073

Name:
ethyl 4-((1R,5S,7R)-3-benzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-caShow More⌵

Mol. Formula:
C20H25N3O6

M.W.:
403.44

4 activity values

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
88.62

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA601919

Name:
(1R,5S,7R)-3-benzyl-7-(4-(2-hydroxyethyl)piperazine-1-carbonyl)-6,8-dioxa-3Show More⌵

Mol. Formula:
C19H25N3O5

M.W.:
375.43

3 activity values