Compounds

ALA3961335

Name:
2-allyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)an
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Mol. Formula:
C13H17N3

M.W.:
215.30

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3939078

Name:
2-(2-allylstyryl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C14H16N2

M.W.:
212.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3920069

Name:
2-(2-chlorostyryl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C11H11ClN2

M.W.:
206.68

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA3911124

Name:
2-(2-([1,1'-biphenyl]-2-yl)vinyl)-4,5-dihydro-1H-i
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Mol. Formula:
C17H16N2

M.W.:
248.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3904276

Name:
N-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2-methyla
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Mol. Formula:
C11H15N3

M.W.:
189.26

20 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA3892351

Name:
N-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2-propyla
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Mol. Formula:
C13H19N3

M.W.:
217.32

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3582260

Name:
(S)-2-(1-(biphenyl-2-yl)propan-2-yl)-4,5-dihydro-1
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Cas Number:
873802-40-5

Mol. Formula:
C18H20N2

M.W.:
264.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3582259

Name:
(R)-2-(1-(biphenyl-2-yl)propan-2-yl)-4,5-dihydro-1
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Mol. Formula:
C18H20N2

M.W.:
264.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3408298

Name:
(E)-5-azido-2-chloro-4-iodo-N-(5-methylpyrrolidin-
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Mol. Formula:
C11H11ClIN5

M.W.:
375.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
73.15

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3408297

Name:
5-((2-bromophenoxy)methyl)-4,5-dihydrooxazol-2-ami
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Cas Number:
359715-57-4

Mol. Formula:
C10H11BrN2O2

M.W.:
271.11

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
56.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3216268

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-[(dicyclopropylmethy
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Mol. Formula:
C12H24Cl2N4

M.W.:
295.26

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
62.44

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3216207

Name:
(S)-2-(4,5-dihydro-1H-imidazol-5-yl)-N,N-dimethyle
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Mol. Formula:
C7H17Cl2N3

M.W.:
214.14

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
27.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA1644520

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-[(E)-2-phenylethenyl
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Mol. Formula:
C13H18BrN3

M.W.:
296.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
50.41

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1644519

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-(2-fluorophenyl)imid
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Mol. Formula:
C11H15BrFN3

M.W.:
288.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
50.41

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA1644518

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-phenylimidazoline di
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Mol. Formula:
C11H16BrN3

M.W.:
270.17

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
50.41

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA1644517

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-[(N-benzyl-N-phenyl)
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Mol. Formula:
C19H25BrN4

M.W.:
389.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
53.65

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1644516

Name:
[4(5)R]-4(5)-(2-Aminoethyl)-2-(2,3-dihydro-1,4-ben
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Mol. Formula:
C13H18BrN3O2

M.W.:
328.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
68.87

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1644515

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-(2,3-dihydro-1,4-ben
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Mol. Formula:
C13H18BrN3O2

M.W.:
328.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
68.87

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1644514

Name:
[4(5)R]-4(5)-(2-Aminoethyl)-2-(2-ethyl-2,3-dihydro
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Mol. Formula:
C15H22BrN3O

M.W.:
340.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
59.64

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1644513

Name:
[4(5)S]-4(5)-(2-Aminoethyl)-2-(2-ethyl-2,3-dihydro
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Mol. Formula:
C15H22BrN3O

M.W.:
340.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
59.64

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS