Compounds

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
130.44

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4800345

Name:
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl cyclohexylcarbamate

Mol. Formula:
C14H22N4O4

M.W.:
310.35

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4799747

Name:
6-(4-((benzyl(methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)-N-(5-nitrothiazolShow More⌵

Mol. Formula:
C20H25N7O3S

M.W.:
443.53

10 activity values

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
119.08

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4798688

Name:
ethyl 1-((1-(6-(5-nitrothiazol-2-ylamino)-6-oxohexyl)-1H-1,2,3-triazol-4-ylShow More⌵

Mol. Formula:
C20H29N7O5S

M.W.:
479.56

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
145.38

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4797147

Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl cyclohexylcarbamate

Mol. Formula:
C13H20N4O4

M.W.:
296.33

6 activity values

4 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4796806

Name:
6-(4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)-N-(5-nitrothiazol-2-ylShow More⌵

Mol. Formula:
C18H19N7O6S

M.W.:
461.46

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
168.21

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4795316

Name:
7-chloro-4-(4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazin-1-yl)quShow More⌵

Mol. Formula:
C19H21ClN6O2

M.W.:
400.87

3 activity values

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
80.33

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4795256

Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorophenylcarbamate

Mol. Formula:
C13H13FN4O4

M.W.:
308.27

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4794900

Name:
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl phenylcarbamate

Mol. Formula:
C14H16N4O4

M.W.:
304.31

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4793489

Name:
1-(4-(1-(2-(2-(2-(furan-2-yl)vinyl)-5-nitro-1H-imidazol-1-yl)ethyl)-1H-1,2,Show More⌵

Mol. Formula:
C21H18N6O4

M.W.:
418.41

2 activity values

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
121.88

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4793379

Name:
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl 4-nitrophenylcarbamate

Mol. Formula:
C14H15N5O6

M.W.:
349.30

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
142.43

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4791389

Name:
6-(4-(2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethyl)-1H-1,2,3-triazol-1-yl)-N-Show More⌵

Mol. Formula:
C17H21N9O5S

M.W.:
463.48

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
176.80

HBA:
12

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4790450

Name:
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl 4-chlorophenylcarbamate

Mol. Formula:
C14H15ClN4O4

M.W.:
338.75

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4789562

Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl phenylcarbamate

Mol. Formula:
C13H14N4O4

M.W.:
290.28

6 activity values

4 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4789440

Name:
6-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(5-nitrothiazol-2-yl)hexanamide

Mol. Formula:
C14H18N6O3S

M.W.:
350.40

9 activity values

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
115.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4787668

Name:
1-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-Show More⌵

Mol. Formula:
C20H17ClN4O4

M.W.:
412.83

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
92.72

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4786380

Name:
N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-3-(5-nitrofuran-2-yl)acrylamShow More⌵

Mol. Formula:
C13H13N5O6

M.W.:
335.28

3 activity values

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
146.34

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4785379

Name:
N-(5-nitrothiazol-2-yl)-6-(4-(ureidomethyl)-1H-1,2,3-triazol-1-yl)hexanamidShow More⌵

Mol. Formula:
C13H18N8O4S

M.W.:
382.41

Type:
Unknown

AlogP:
1.01

Polar Surface Area:
170.96

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4785337

Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorophenylcarbamate

Mol. Formula:
C13H13ClN4O4

M.W.:
324.72

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4784861

Name:
2-((1-(6-(5-nitrothiazol-2-ylamino)-6-oxohexyl)-1H-1,2,3-triazol-4-yl)methoShow More⌵

Mol. Formula:
C21H21N9O5S2

M.W.:
543.59