Compounds

Type:
Unknown

AlogP:
0.65

Polar Surface Area:
156.79

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4576924

Name:
3,5-diamino-6-(thiophen-2-yl)-N-carbamimidoylpyrazine-2-carboxamide

Mol. Formula:
C10H11N7OS

M.W.:
277.31

Type:
Unknown

AlogP:
-0.01

Polar Surface Area:
156.79

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4575138

Name:
3,5-diamino-N-carbamimidoyl-6-(5-methylbenzofuran-2-yl)pyrazine-2-carboxamiShow More⌵

Mol. Formula:
C15H15N7O2

M.W.:
325.33

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4571268

Name:
3,5-diamino-6-(5-bromobenzofuran-2-yl)-N-carbamimidoylpyrazine-2-carboxamidShow More⌵

Mol. Formula:
C14H12BrN7O2

M.W.:
390.20

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4565975

Name:
3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamShow More⌵

Mol. Formula:
C10H13N9O

M.W.:
275.28

Type:
Unknown

AlogP:
-1.34

Polar Surface Area:
174.61

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4554541

Name:
3,5-diamino-N-carbamimidoyl-6-(5-chlorobenzofuran-2-yl)pyrazine-2-carboxamiShow More⌵

Mol. Formula:
C14H12ClN7O2

M.W.:
345.75

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4551391

Name:
3,5-diamino-N-carbamimidoyl-6-(2,3-dihydrobenzofuran-5-yl)pyrazine-2-carboxShow More⌵

Mol. Formula:
C14H15N7O2

M.W.:
313.32

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
166.02

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4550786

Name:
3,5-diamino-6-(benzofuran-5-yl)-N-carbamimidoylpyrazine-2-carboxamide

Mol. Formula:
C14H13N7O2

M.W.:
311.31

Type:
Unknown

AlogP:
0.68

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4547122

Name:
3,5-diamino-N-carbamimidoyl-6-(6-methoxybenzofuran-2-yl)pyrazine-2-carboxamShow More⌵

Mol. Formula:
C15H15N7O3

M.W.:
341.33

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
179.16

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4546029

Name:
3,5-diamino-6-(benzo[b]thiophen-2-yl)-N-carbamimidoylpyrazine-2-carboxamide

Mol. Formula:
C14H13N7OS

M.W.:
327.37

Type:
Unknown

AlogP:
1.15

Polar Surface Area:
156.79

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4527266

Name:
3,5-diamino-N-carbamimidoyl-6-(5-cyanobenzofuran-2-yl)pyrazine-2-carboxamidShow More⌵

Mol. Formula:
C15H12N8O2

M.W.:
336.32

Type:
Unknown

AlogP:
0.55

Polar Surface Area:
193.72

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4520324

Name:
(S)-N-(4-carbamimidoylbenzyl)-2-((R)-3-hydroxy-2-(phenylmethylsulfonamido)pShow More⌵

Mol. Formula:
C28H33N5O5S

M.W.:
551.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.18

Polar Surface Area:
174.47

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4476829

Name:
3,5-diamino-N-carbamimidoyl-6-(2,6-dimethoxypyridin-3-yl)pyrazine-2-carboxaShow More⌵

Mol. Formula:
C13H16N8O3

M.W.:
332.32

Type:
Unknown

AlogP:
-0.66

Polar Surface Area:
188.14

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4456193

Name:
3,5-diamino-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboShow More⌵

Mol. Formula:
C12H15N9O3

M.W.:
333.31

Type:
Unknown

AlogP:
-1.26

Polar Surface Area:
201.03

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4451872

Name:
3,5-diamino-N-carbamimidoyl-6-(pyrimidin-5-yl)pyrazine-2-carboxamide

Mol. Formula:
C10H11N9O

M.W.:
273.26

Type:
Unknown

AlogP:
-1.28

Polar Surface Area:
182.57

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4450426

Name:
3,5-diamino-N-carbamimidoyl-6-(4-(trifluoromethyl)phenyl)pyrazine-2-carboxaShow More⌵

Mol. Formula:
C13H12F3N7O

M.W.:
339.28

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
156.79

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4450051

Name:
3,5-diamino-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide

Mol. Formula:
C10H11N7O2

M.W.:
261.25

Type:
Unknown

AlogP:
-0.48

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4447661

Name:
3,5-diamino-N-carbamimidoyl-6-(5-fluorobenzofuran-2-yl)pyrazine-2-carboxamiShow More⌵

Mol. Formula:
C14H12FN7O2

M.W.:
329.30

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
169.93

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4445592

Name:
3,5-diamino-N-carbamimidoyl-6-(5-methoxybenzofuran-2-yl)pyrazine-2-carboxamShow More⌵

Mol. Formula:
C15H15N7O3

M.W.:
341.33

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
179.16

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4438665

Name:
3,5-diamino-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide

Mol. Formula:
C10H11N7O2

M.W.:
261.25