Compounds

ALA1204178

Name:
1-(2-Methoxy-propoxy)-octadecyl-phosphinyl-oxy-N,N
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Mol. Formula:
C27H59ClNO6P

M.W.:
560.20

16 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
77.05

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA81715

Name:
4-(2,3-Dihydro-imidazo[2,1-a]isoquinolin-5-yl)-phe
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Mol. Formula:
C17H14N2O

M.W.:
262.31

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
35.83

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA309194

Name:
5-(4-Methoxy-phenyl)-2,3-dihydro-imidazo[2,1-a]iso
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Mol. Formula:
C18H16N2O

M.W.:
276.34

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
24.83

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA81384

Name:
5-(3,4,5-Trimethoxy-phenyl)-2,3-dihydro-imidazo[2,
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Mol. Formula:
C20H20N2O3

M.W.:
336.39

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
43.29

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA312567

Name:
5-(3,4-Dimethoxy-phenyl)-2,3-dihydro-imidazo[2,1-a
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Mol. Formula:
C19H18N2O2

M.W.:
306.37

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
34.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA80647

Name:
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-
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Mol. Formula:
C24H25N3

M.W.:
355.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA78642

Name:
5-(4-Pyrrolidin-1-ylmethyl-phenyl)-2,3-dihydro-imi
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Mol. Formula:
C22H23N3

M.W.:
329.45

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA312225

Name:
5-(4-Piperidin-1-ylmethyl-phenyl)-2,3-dihydro-imid
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Cas Number:
115621-81-3

Mol. Formula:
C23H25N3

M.W.:
343.47

18 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA80963

Name:
5-(2-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoq
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Mol. Formula:
C17H13ClN2

M.W.:
280.76

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA431005

Name:
5-(4-Cyclohexyl-phenyl)-2,3-dihydro-imidazo[2,1-a]
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Mol. Formula:
C23H24N2

M.W.:
328.46

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA420943

Name:
5-Biphenyl-4-yl-2,3-dihydro-imidazo[2,1-a]isoquino
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Mol. Formula:
C23H18N2

M.W.:
322.41

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA80165

Name:
5-Thiophen-2-yl-2,3-dihydro-imidazo[2,1-a]isoquino
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Mol. Formula:
C15H12N2S

M.W.:
252.34

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
15.60

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA80505

Name:
5-Pyridin-3-yl-2,3-dihydro-imidazo[2,1-a]isoquinol
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Mol. Formula:
C16H13N3

M.W.:
247.30

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
28.49

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA309310

Name:
5-Pyridin-4-yl-2,3-dihydro-imidazo[2,1-a]isoquinol
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Mol. Formula:
C16H13N3

M.W.:
247.30

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
28.49

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA432556

Name:
5-Naphthalen-1-yl-2,3-dihydro-imidazo[2,1-a]isoqui
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Mol. Formula:
C21H16N2

M.W.:
296.37

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA80936

Name:
5-(4-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoqu
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Mol. Formula:
C21H22N2

M.W.:
302.42

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA419472

Name:
5-(3-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]
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Mol. Formula:
C21H22N2

M.W.:
302.42

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA80443

Name:
5-(4-tert-Butyl-phenyl)-8-chloro-2,3-dihydro-imida
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Mol. Formula:
C21H21ClN2

M.W.:
336.87

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA79089

Name:
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]
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Mol. Formula:
C21H22N2

M.W.:
302.42

17 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA78668

Name:
5-(4-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoq
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Mol. Formula:
C17H13ClN2

M.W.:
280.76

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS