Compounds

Type:
Unknown

AlogP:
0.67

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4550922

Name:
(6R,7R)-7-Acetamido-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2Show More⌵

Mol. Formula:
C12H14N2O6S

M.W.:
314.32

Type:
Unknown

AlogP:
-0.69

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4517487

Name:
(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(3-phenoxyphenyl)-acetamido)-5-thia-1-Show More⌵

Mol. Formula:
C24H22N2O7S

M.W.:
482.51

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
122.24

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4467301

Name:
(6R,7R)-3-(Acetoxymethyl)-7-(4-nitrobenzamido)-8-oxo-5-thia-1-azabicyclo[4.Show More⌵

Mol. Formula:
C17H15N3O8S

M.W.:
421.39

Type:
Unknown

AlogP:
0.51

Polar Surface Area:
156.15

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4457960

Name:
(6R,7R)-3-(Acetoxymethyl)-7-(4-methoxybenzamido)-8-oxo-5-thia-1-azabicyclo[Show More⌵

Mol. Formula:
C18H18N2O7S

M.W.:
406.42

Type:
Unknown

AlogP:
0.61

Polar Surface Area:
122.24

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4445032

Name:
(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(p-tolyl)acetamido)-5-thia-1-azabicyclShow More⌵

Mol. Formula:
C19H20N2O6S

M.W.:
404.44

Type:
Unknown

AlogP:
0.84

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4115687

Name:
US9120808, Example 18

Mol. Formula:
C23H25NO7

M.W.:
427.45

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
99.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4115684

Name:
US9120808, Example 39

Mol. Formula:
C24H23NO5

M.W.:
405.45

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4115678

Name:
US9120808, Example 38::US9120808, Example 38a

Mol. Formula:
C18H19NO5

M.W.:
329.35

6 activity values

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4114818

Name:
US9120808, Example 26

Mol. Formula:
C24H21NO6

M.W.:
419.43

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4114809

Name:
US9120808, Example 2

Mol. Formula:
C18H17NO5

M.W.:
327.34

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4114806

Name:
US9120808, Example 11::US9120808, Example 12

Mol. Formula:
C21H21NO7

M.W.:
399.40

4 activity values

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
99.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4114803

Name:
US9120808, Example 41::US9120808, Example 42

Mol. Formula:
C18H16INO6

M.W.:
469.23

6 activity values

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
82.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4114792

Name:
US9120808, Example 35::US9120808, Example 36

Mol. Formula:
C18H17NO6

M.W.:
343.34

6 activity values

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4114791

Name:
US9120808, Example 17

Mol. Formula:
C12H13NO5

M.W.:
251.24

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4114790

Name:
US9120808, Example 10

Mol. Formula:
C21H21NO7

M.W.:
399.40

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
99.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4114789

Name:
US9120808, Example 56

Mol. Formula:
C11H15NO5

M.W.:
241.24

Type:
Small molecule

AlogP:
0.07

Polar Surface Area:
87.07

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4114788

Name:
US9120808, Example 16

Mol. Formula:
C12H13NO5

M.W.:
251.24

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4114780

Name:
US9120808, Example 40

Mol. Formula:
C18H19NO5

M.W.:
329.35

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4114769

Name:
US9120808, Example 54

Mol. Formula:
C12H15NO6

M.W.:
269.25