Compounds

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
34.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4474928

Name:
(E)-3-(2-Iodophenyl)-1-(3-phenylpyrrolo[1,2-a]pyra
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Mol. Formula:
C22H15IN2O

M.W.:
450.28

1 activity values

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
34.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4537852

Name:
(E)-N-(6-((diethylamino)methyl)benzo[d]thiazol-2-y
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Mol. Formula:
C21H24FN5OS

M.W.:
413.52

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
69.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4524470

Name:
(E)-N-(4-((diethylamino)methyl)phenyl)-2-(1-(pyrid
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Mol. Formula:
C19H25N5O

M.W.:
339.44

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
69.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4522100

Name:
(E)-N-(4-((dimethylamino)methyl)phenyl)-2-(pyridin
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Mol. Formula:
C16H19N5O

M.W.:
297.36

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
69.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4521646

Name:
N-(4-((dimethylamino)methyl)phenyl)-2-(diphenylmet
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Mol. Formula:
C23H24N4O

M.W.:
372.47

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
56.73

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4520573

Name:
(E)-3-(4-Methoxyphenyl)-1-(3-phenylpyrrolo[1,2-a]p
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Mol. Formula:
C23H18N2O2

M.W.:
354.41

1 activity values

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4533948

Name:
(E)-N-(4-((4-methylpiperidin-1-yl)methyl)phenyl)-2
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Mol. Formula:
C20H25N5O

M.W.:
351.45

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
69.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4559125

Name:
(E)-N-(6-((diethylamino)methyl)benzo[d]thiazol-2-y
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Mol. Formula:
C19H23N7OS

M.W.:
397.51

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
95.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4556693

Name:
2-(dipyridin-2-ylmethylene)-N-(6-((4-methylpiperid
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Mol. Formula:
C26H27N7OS

M.W.:
485.62

27 activity values

6 unique targets

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
95.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4554661

Name:
(E)-1-(3-Phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-(pyri
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Mol. Formula:
C21H15N3O

M.W.:
325.37

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
47.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4552539

Name:
2-(Di(pyridin-2-yl)methylene)-N-(6-((diethylamino)
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Mol. Formula:
C24H25N7OS

M.W.:
459.58

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
95.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4571338

Name:
(E)-N-(6-((4-methylpiperidin-1-yl)methyl)benzo[d]t
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Mol. Formula:
C21H25N7OS

M.W.:
423.55

3 activity values

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
95.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4569152

Name:
(E)-N-(6-((4-methylpiperidin-1-yl)methyl)benzo[d]t
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Mol. Formula:
C22H26N6OS

M.W.:
422.56

26 activity values

6 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
82.51

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4566643

Name:
(E)-1-(3-Phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-(pyri
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Mol. Formula:
C21H15N3O

M.W.:
325.37

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
47.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4527447

Name:
2-(Di(pyridin-2-yl)methylene)-N-(4-((dimethylamino
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Mol. Formula:
C21H22N6O

M.W.:
374.45

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
82.51

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4526784

Name:
N-(4-((diethylamino)methyl)phenyl)-2-(diphenylmeth
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Mol. Formula:
C25H28N4O

M.W.:
400.53

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
56.73

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4743751

Name:
(3Z,6Z)-1-Allyl-6-(4-methoxybenzylidene)-3-octylid
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Mol. Formula:
C23H30N2O3

M.W.:
382.50

8 activity values

8 unique targets

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
64.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4743607

Name:
(3Z,6Z)-1-Allyl-3-heptylidene-6-(2-methoxybenzylid
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Mol. Formula:
C22H28N2O3

M.W.:
368.48

8 activity values

8 unique targets

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
64.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4742365

Name:
(5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl)(phenyl)me
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Mol. Formula:
C17H11N3O2

M.W.:
289.29