Compounds

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
100.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4474987

Name:
(E)-Methyl-3-(3-(3-chloroquinoxalin-2-yl)-1-isopro
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Mol. Formula:
C24H22ClN3O3

M.W.:
435.91

1 unique targets

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4474581

Name:
(3-(3-Chlorophenyl)-4-methoxybenzyl)phenylalanine

Mol. Formula:
C23H22ClNO3

M.W.:
395.89

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4537714

Name:
rac-N-(4-Chlorophenyl)-6-(cyclopentyloxy)-7-methox
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Mol. Formula:
C28H27ClN2O3

M.W.:
474.99

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4537270

Name:
rac-6-(Cyclopentyloxy)-7-methoxy-N,1-diphenyl-3,4-
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Mol. Formula:
C28H28N2O3

M.W.:
440.54

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4522251

Name:
(E)-Ethyl-3-(3-(3-chloroquinoxalin-2-yl)-1-isoprop
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Mol. Formula:
C25H24ClN3O3

M.W.:
449.94

1 unique targets

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4520930

Name:
N-(Pyridin-3-yl)-3-(3-chlorophenyl)-4-methoxybenzy
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Mol. Formula:
C19H17ClN2O

M.W.:
324.81

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
34.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4535802

Name:
N-(3-Dimethylaminophenyl)-3-(3-chlorophenyl)-4-met
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Mol. Formula:
C22H23ClN2O

M.W.:
366.89

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4531761

Name:
(Z)-5-(3-cyclopentyloxy-4-methoxybenzylidene)-3-(4
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Mol. Formula:
C30H36Cl2N4O4

M.W.:
587.55

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
74.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4531348

Name:
2-(5-Bromo-1-isopropyl-1H-indol-3-yl)-3-chloroquin
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Mol. Formula:
C19H15BrClN3

M.W.:
400.71

1 unique targets

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4558286

Name:
(Z)-5-(3,4-dimethoxybenzylidene)-3-(4-(4-(2-methox
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Mol. Formula:
C27H34N4O5

M.W.:
494.59

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
83.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4552861

Name:
1-(3-(3-Chlorophenyl)-4-methoxybenzyl)-3-methyl-pi
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Mol. Formula:
C20H24ClNO

M.W.:
329.87

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4571089

Name:
rac-6-(Cyclopentyloxy)-N-(2-fluorophenyl)-7-methox
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Mol. Formula:
C28H27FN2O3

M.W.:
458.53

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4569899

Name:
(Z)-5-(3-cyclopentyloxy-4-methoxybenzylidene)-3-(3
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Mol. Formula:
C27H34N6O4

M.W.:
506.61

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
100.13

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4567007

Name:
rac-N-(4-Bromophenyl)-6-(cyclopentyloxy)-7-methoxy
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Mol. Formula:
C28H27BrN2O3

M.W.:
519.44

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4529642

Name:
rac-6-(Cyclopentyloxy)-7-methoxy-1-phenyl-N-(p-tol
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Mol. Formula:
C29H30N2O3

M.W.:
454.57

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4547053

Name:
4-(3-(3-Chlorophenyl)-4-methoxybenzyl)morpholine

Mol. Formula:
C18H20ClNO2

M.W.:
317.82

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4745497

Name:
5-(2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6
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Mol. Formula:
C23H31N9O

M.W.:
449.56

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
113.77

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4745467

Name:
1-(4-chlorophenyl)-N-cyclopropyl-1H-pyrrolo[2,3-b]
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Mol. Formula:
C17H14ClN3O

M.W.:
311.77

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4745399

Name:
(3-(3,4-dichlorophenyl)-3H-imidazo[4,5-b]pyridin-2
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Mol. Formula:
C20H19Cl2N5O

M.W.:
416.31