Compounds

Type:
---

AlogP:
1.37

Polar Surface Area:
89.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5205206

Name:
3-(((5,6-dioxo-1,4-dihydropyrazin-2-yl)thio)methyl)benzonitrile

Mol. Formula:
C12H9N3O2S

M.W.:
259.29

Type:
---

AlogP:
1.23

Polar Surface Area:
89.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5204839

Name:
1-Hydroxy-5-phenethylpyrimidine-2,4(1H,3H)-dione

Mol. Formula:
C12H12N2O3

M.W.:
232.24

3 activity values

2 unique targets

Type:
---

AlogP:
0.56

Polar Surface Area:
75.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5204414

Name:
5-methyl-6-(4-(trifluoromethyl)phenethyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C14H13F3N2O2

M.W.:
298.26

Type:
---

AlogP:
2.18

Polar Surface Area:
65.72

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5204161

Name:
(R)-5-(3-Methyl-7-(trifluoromethyl)-2,3-dihydrobenzo[b][1,4]-oxathiin-3-yl)Show More⌵

Mol. Formula:
C14H11F3N2O3S

M.W.:
344.31

3 activity values

2 unique targets

Type:
---

AlogP:
2.48

Polar Surface Area:
74.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5203007

Name:
5-(2-(6-(Difluoromethoxy)-pyridin-3-yl)ethyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H11F2N3O3

M.W.:
283.23

Type:
---

AlogP:
0.84

Polar Surface Area:
87.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5202977

Name:
(R)-5-(7-fluoro-2,3-dihydrobenzo[b][1,4]oxathiin-3-yl)-1,4-dihydropyrazine-Show More⌵

Mol. Formula:
C12H9FN2O3S

M.W.:
280.28

Type:
---

AlogP:
1.43

Polar Surface Area:
74.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5202169

Name:
5-phenethyl-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H12N2O2

M.W.:
216.24

Type:
---

AlogP:
0.85

Polar Surface Area:
65.72

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5201918

Name:
5-(((7-chloroquinolin-3-yl)thio)methyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C14H10ClN3O2S

M.W.:
319.77

10 activity values

Type:
---

AlogP:
2.56

Polar Surface Area:
78.61

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5200372

Name:
5-((3,4-difluorobenzyl)thio)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C11H8F2N2O2S

M.W.:
270.26

Type:
---

AlogP:
1.63

Polar Surface Area:
65.72

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5196542

Name:
(R)-5-(7-(Trifluoromethyl)-2,3-dihydrobenzo[b][1,4]oxathiin-3-yl)-1,4-dihydShow More⌵

Mol. Formula:
C13H9F3N2O3S

M.W.:
330.29

Type:
---

AlogP:
2.31

Polar Surface Area:
74.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5194769

Name:
5-(4-(trifluoromethyl)phenylethyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C13H11F3N2O2

M.W.:
284.24

4 activity values

Type:
---

AlogP:
1.87

Polar Surface Area:
65.72

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5192952

Name:
5-(2-chlorophenylethyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H11ClN2O2

M.W.:
250.69

Type:
---

AlogP:
1.50

Polar Surface Area:
65.72

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5192292

Name:
5-((4-(methylsulfonyl)benzyl)thio)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H12N2O4S2

M.W.:
312.37

Type:
---

AlogP:
0.76

Polar Surface Area:
99.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5191702

Name:
5-(((4-(difluoromethyl)phenyl)thio)methyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H10F2N2O2S

M.W.:
284.29

37 activity values

17 unique targets

Type:
---

AlogP:
2.29

Polar Surface Area:
65.72

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5191030

Name:
5-(4-chlorobenzyl)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C11H9ClN2O2

M.W.:
236.66

Type:
---

AlogP:
1.31

Polar Surface Area:
65.72

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5190430

Name:
2-chloro-4-(((5,6-dioxo-1,4-dihydropyrazin-2-yl)methyl)thio)benzonitrile

Mol. Formula:
C12H8ClN3O2S

M.W.:
293.74

22 activity values

Type:
---

AlogP:
1.88

Polar Surface Area:
89.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5190409

Name:
4-(2-(5,6-dioxo-1,4-dihydropyrazin-2-yl)ethyl)benzonitrile

Mol. Formula:
C13H11N3O2

M.W.:
241.25

Type:
---

AlogP:
0.72

Polar Surface Area:
89.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5189921

Name:
5-(3-Methyl-2,3-dihydrobenzo[b][1,4]oxathiin-3-yl)-1,4-dihydropyrazine-2,3-Show More⌵

Mol. Formula:
C13H12N2O3S

M.W.:
276.32

3 activity values

2 unique targets

Type:
---

AlogP:
1.46

Polar Surface Area:
74.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5188286

Name:
5-((4-(Difluoromethyl)benzyl)thio)-1,4-dihydropyrazine-2,3-dione

Mol. Formula:
C12H10F2N2O2S

M.W.:
284.29