Compounds

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA377035

Name:
2-[(E)-2-chloro-benzenesulfonylimino]-imidazolidin
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Mol. Formula:
C14H13ClN6O2S5

M.W.:
493.09

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA210620

Name:
2-[(E)-naphthalene-2-sulfonylimino]-imidazolidine-
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Mol. Formula:
C18H16N6O2S5

M.W.:
508.70

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA377522

Name:
2-[(E)-2,4-dichloro-benzenesulfonylimino]-imidazol
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Mol. Formula:
C14H12Cl2N6O2S5

M.W.:
527.53

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA209725

Name:
2-[(E)-3,4-dichloro-benzenesulfonylimino]-imidazol
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Mol. Formula:
C14H12Cl2N6O2S5

M.W.:
527.53

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA210480

Name:
2-[(E)-4-nitro-benzenesulfonylimino]-imidazolidine
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Mol. Formula:
C14H13N7O4S5

M.W.:
503.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
125.97

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA208641

Name:
2-[(E)-4-acetylamino-benzenesulfonylimino]-imidazo
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Mol. Formula:
C16H17N7O3S5

M.W.:
515.69

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
111.93

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA211717

Name:
2-[(E)-2,5-dimethoxy-benzenesulfonylimino]-imidazo
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Mol. Formula:
C16H18N6O4S5

M.W.:
518.69

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
101.29

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA211646

Name:
2-[(E)-4-trifluoromethyl-benzenesulfonylimino]-imi
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Mol. Formula:
C15H13F3N6O2S5

M.W.:
526.64

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA211645

Name:
2-[(E)-2-methoxy-4-methyl-benzenesulfonylimino]-im
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Mol. Formula:
C16H18N6O3S5

M.W.:
502.69

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
92.06

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA207167

Name:
2-[(E)-2,3,4-trichloro-benzenesulfonylimino]-imida
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Mol. Formula:
C14H11Cl3N6O2S5

M.W.:
561.98

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA207001

Name:
2-[(E)-4-bromo-benzenesulfonylimino]-imidazolidine
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Mol. Formula:
C14H13BrN6O2S5

M.W.:
537.54

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA207439

Name:
2-[(E)-4-trifluoromethoxy-benzenesulfonylimino]-im
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Mol. Formula:
C15H13F3N6O3S5

M.W.:
542.64

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
92.06

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA425608

Name:
2-[(E)-3,5-dichloro-benzenesulfonylimino]-imidazol
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Mol. Formula:
C14H12Cl2N6O2S5

M.W.:
527.53

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA378951

Name:
2-[(E)-3-trifluoromethoxy-benzenesulfonylimino]-im
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Mol. Formula:
C15H13F3N6O3S5

M.W.:
542.64

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
92.06

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA384448

Name:
2-[(E)-3,4-dimethoxy-benzenesulfonylimino]-imidazo
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Mol. Formula:
C16H18N6O4S5

M.W.:
518.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
101.29

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA208987

Name:
2-[(E)-4-methoxy-benzenesulfonylimino]-imidazolidi
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Mol. Formula:
C15H16N6O3S5

M.W.:
488.67

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
92.06

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA210949

Name:
2-[(E)-3-methoxy-benzenesulfonylimino]-imidazolidi
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Mol. Formula:
C15H16N6O3S5

M.W.:
488.67

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
92.06

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA382433

Name:
2-[(E)-biphenyl-4-sulfonylimino]-imidazolidine-1-c
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Mol. Formula:
C20H18N6O2S5

M.W.:
534.74

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
82.83

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA207540

Name:
2-[(E)-2,4,6-trimethyl-benzenesulfonylimino]-imida
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Mol. Formula:
C17H20N6O2S5

M.W.:
500.72