Compounds

ALA420050

Name:
(1Z,N'E)-N'-((5-(butylamino)pyridin-2-yl)methylene)carbamohydrazonothioic aShow More⌵

Mol. Formula:
C11H17N5S

M.W.:
251.36

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA86910

Name:
(1Z,N'E)-N'-((3,5-diaminopyridin-2-yl)methylene)carbamohydrazonothioic acid

Mol. Formula:
C7H10N6S

M.W.:
210.27

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.18

Polar Surface Area:
115.67

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA85181

Name:
(1Z,N'E)-N'-((5-amino-4-(morpholinomethyl)pyridin-2-yl)methylene)carbamohydShow More⌵

Mol. Formula:
C12H18N6OS

M.W.:
294.38

60 activity values

57 unique targets

Type:
Small molecule

AlogP:
0.07

Polar Surface Area:
102.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA85661

Name:
(1Z,N'E)-N'-((5-(aminomethyl)pyridin-2-yl)methylene)carbamohydrazonothioic Show More⌵

Mol. Formula:
C8H11N5S

M.W.:
209.28

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
89.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA313203

Name:
(Z)-N'-(3-amino-6-formylpyridin-2-yl)carbamohydrazonothioic acid

Mol. Formula:
C7H9N5OS

M.W.:
211.25

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
106.39

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA315999

Name:
(Z)-N'-(5-amino-6-formylpyridin-2-yl)carbamohydrazonothioic acid

Mol. Formula:
C7H9N5OS

M.W.:
211.25

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
106.39

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA86963

Name:
(1Z,N'E)-N'-((5-(propylamino)pyridin-2-yl)methylene)carbamohydrazonothioic Show More⌵

Mol. Formula:
C10H15N5S

M.W.:
237.33

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA314693

Name:
(1Z,N'E)-N'-((5-(methylamino)pyridin-2-yl)methylene)carbamohydrazonothioic Show More⌵

Mol. Formula:
C8H11N5S

M.W.:
209.28

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA87996

Name:
(1Z,N'E)-N'-((3-(allylamino)pyridin-2-yl)methylene)carbamohydrazonothioic aShow More⌵

Mol. Formula:
C10H13N5S

M.W.:
235.32

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA87471

Name:
(1Z,N'E)-N'-((3-(methylamino)pyridin-2-yl)methylene)carbamohydrazonothioic Show More⌵

Mol. Formula:
C8H11N5S

M.W.:
209.28

66 activity values

63 unique targets

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA86188

Name:
(1Z,N'E)-N'-((5-(ethylamino)pyridin-2-yl)methylene)carbamohydrazonothioic aShow More⌵

Mol. Formula:
C9H13N5S

M.W.:
223.31

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA82809

Name:
(1Z,N'E)-N'-((5-(allylamino)pyridin-2-yl)methylene)carbamohydrazonothioic aShow More⌵

Mol. Formula:
C10H13N5S

M.W.:
235.32

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
75.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS