Compounds

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA248445

Name:
N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-methShow More⌵

Mol. Formula:
C13H16ClN3O5S

M.W.:
361.81

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA248444

Name:
N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-methShow More⌵

Mol. Formula:
C13H16ClN3O5S

M.W.:
361.81

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA399700

Name:
N-(7-chloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3-methoxypropylShow More⌵

Mol. Formula:
C13H16ClN3O5S

M.W.:
361.81

6 activity values

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA248443

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3,3,3-triflShow More⌵

Mol. Formula:
C12H10Cl2F3N3O4S

M.W.:
420.20

21 activity values

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
103.10

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA400508

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3-ethoxyproShow More⌵

Mol. Formula:
C14H17Cl2N3O5S

M.W.:
410.28

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA248442

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-ethoxyethShow More⌵

Mol. Formula:
C13H15Cl2N3O5S

M.W.:
396.25

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA399275

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3-methoxyprShow More⌵

Mol. Formula:
C13H15Cl2N3O5S

M.W.:
396.25

19 activity values

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA248439

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-methoxyetShow More⌵

Mol. Formula:
C12H13Cl2N3O5S

M.W.:
382.23

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA399274

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-(2-ethoxyShow More⌵

Mol. Formula:
C15H19Cl2N3O6S

M.W.:
440.31

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
121.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA248438

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-((tetrahydroShow More⌵

Mol. Formula:
C14H15Cl2N3O5S

M.W.:
408.26

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA399075

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-((tetrahydroShow More⌵

Mol. Formula:
C15H17Cl2N3O5S

M.W.:
422.29

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA248436

Name:
N-(3-fluorobenzyl)-N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5Show More⌵

Mol. Formula:
C16H12Cl2FN3O4S

M.W.:
432.26

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
103.10

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA247035

Name:
N-(3-methoxybenzyl)-N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-Show More⌵

Mol. Formula:
C17H15Cl2N3O5S

M.W.:
444.30

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
112.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA247034

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydroxyprShow More⌵

Mol. Formula:
C12H13Cl2N3O5S

M.W.:
382.23

6 activity values

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
123.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA401100

Name:
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(3-hydroxyprShow More⌵

Mol. Formula:
C12H13Cl2N3O5S

M.W.:
382.23

6 activity values

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
123.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA401253

Name:
N-(7-chloro-6-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydroShow More⌵

Mol. Formula:
C13H16ClN3O5S

M.W.:
361.81

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
123.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA429296

Name:
N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydrShow More⌵

Mol. Formula:
C12H14ClN3O5S

M.W.:
347.78

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
123.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA401849

Name:
N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydrShow More⌵

Mol. Formula:
C12H14ClN3O5S

M.W.:
347.78