Compounds

ALA2229339

Name:
2-allylidene-1-butyl-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C8H15N5O2

M.W.:
213.24

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2229338

Name:
2-butylidene-1-((6-chloropyridin-3-yl)methyl)-N'-nitrohydrazinecarboximidamShow More⌵

Mol. Formula:
C11H15ClN6O2

M.W.:
298.73

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
110.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2229337

Name:
1-butyl-2-butylidene-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C9H19N5O2

M.W.:
229.28

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2229336

Name:
N'-nitro-1-propyl-2-propylidenehydrazinecarboximidamide

Mol. Formula:
C7H15N5O2

M.W.:
201.23

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2229335

Name:
1-ethyl-N'-nitro-2-propylidenehydrazinecarboximidamide

Mol. Formula:
C6H13N5O2

M.W.:
187.20

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2229334

Name:
1-((6-chloropyridin-3-yl)methyl)-2-(2-methylpropylidene)-N'-nitrohydrazinecShow More⌵

Mol. Formula:
C11H15ClN6O2

M.W.:
298.73

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
110.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2229333

Name:
1-((6-chloropyridin-3-yl)methyl)-2-(furan-2-ylmethylene)-N'-nitrohydrazinecShow More⌵

Mol. Formula:
C12H11ClN6O3

M.W.:
322.71

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
123.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2229332

Name:
1-((6-chloropyridin-3-yl)methyl)-2-(4-fluorobenzylidene)-N'-nitrohydrazinecShow More⌵

Mol. Formula:
C14H12ClFN6O2

M.W.:
350.74

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
110.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2229331

Name:
1-((6-chloropyridin-3-yl)methyl)-N'-nitro-2-(2-nitrobenzylidene)hydrazinecaShow More⌵

Mol. Formula:
C14H12ClN7O4

M.W.:
377.75

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
153.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2229330

Name:
2-(3,4-dimethoxybenzylidene)-N'-nitro-1-propylhydrazinecarboximidamide

Mol. Formula:
C13H19N5O4

M.W.:
309.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
115.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2229329

Name:
2-(3,4-dimethoxybenzylidene)-1-methyl-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C11H15N5O4

M.W.:
281.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
115.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2229328

Name:
1-allyl-2-(2-chlorobenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C11H12ClN5O2

M.W.:
281.70

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2229327

Name:
2-benzylidene-1-butyl-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C12H17N5O2

M.W.:
263.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2229326

Name:
1-butyl-2-(3-methoxybenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C13H19N5O3

M.W.:
293.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
106.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2229325

Name:
1-benzyl-2-(4-methoxybenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C16H17N5O3

M.W.:
327.34

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
106.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2229324

Name:
1-allyl-2-(4-methylbenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C12H15N5O2

M.W.:
261.29

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2229323

Name:
(1E,2E)-1-butyl-2-(4-methylbenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C13H19N5O2

M.W.:
277.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2229322

Name:
1-ethyl-2-(4-methylbenzylidene)-N'-nitrohydrazinecarboximidamide

Mol. Formula:
C11H15N5O2

M.W.:
249.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2229321

Name:
Guadipyr

Mol. Formula:
C12H17ClN6O2

M.W.:
312.76

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
110.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2229320

Name:
1-allyl-N'-nitro-2-pentylidenehydrazinecarboximidamide

Mol. Formula:
C9H17N5O2

M.W.:
227.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
97.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS