Compounds

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
76.38

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4570642

Name:
rac-Ethyl 1-(1-(2-chloroacetyl)piperidin-3-yl)-3-(
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Mol. Formula:
C25H26ClN3O4

M.W.:
467.95

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4528314

Name:
rac-1-(3-(5-(Hydroxymethyl)-3-(4-phenoxyphenyl)-1H
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Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4462888

Name:
rac-1-(1-Acryloylpiperidin-3-yl)-3-(4-phenoxypheny
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Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
84.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4460627

Name:
rac-1-(1-(2-chloroacetyl)piperidin-3-yl)-3-(4-phen
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Mol. Formula:
C23H22ClN3O4

M.W.:
439.90

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
84.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4467334

Name:
rac-Ethyl (E)-1-(1-(but-2-enoyl)piperidin-3-yl)-3-
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Mol. Formula:
C27H29N3O4

M.W.:
459.55

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4467280

Name:
(E)-N-(3-((5-(hydroxymethyl)-3-(4-phenoxyphenyl)-1
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Mol. Formula:
C27H25N3O3

M.W.:
439.52

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
76.38

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4465635

Name:
rac-Ethyl 1-(1-acryloylpiperidin-3-yl)-3-(4-phenox
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Mol. Formula:
C26H27N3O4

M.W.:
445.52

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4562922

Name:
rac-2-Chloro-1-(3-(5-(hydroxymethyl)-3-(4-phenoxyp
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Mol. Formula:
C23H24ClN3O3

M.W.:
425.92

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5198639

Name:
(4aR,8aR)-3-(hydroxymethyl)-5,8a-dimethyl-4,4a,7,8
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Mol. Formula:
C15H18O3

M.W.:
246.31

1 activity values

1 unique targets

Type:
---

AlogP:
2.48

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA5195174

Name:
2-(2,6-Dioxopiperidin-3-yl)-4-((2-(2-(2-methoxyeth
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Mol. Formula:
C20H25N3O7

M.W.:
419.43

5 activity values

3 unique targets

Type:
---

AlogP:
0.18

Polar Surface Area:
123.27

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4453935

Name:
N-(3-((5-(hydroxymethyl)-3-(4-phenoxyphenyl)-1H-py
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Mol. Formula:
C26H23N3O3

M.W.:
425.49

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
76.38

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4443274

Name:
rac-(E)-1-(3-(5-(hydroxymethyl)-3-(4-phenoxyphenyl
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Mol. Formula:
C25H27N3O3

M.W.:
417.51

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4439058

Name:
rac-(E)-1-(1-(but-2-enoyl)piperidin-3-yl)-3-(4-phe
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Mol. Formula:
C25H25N3O4

M.W.:
431.49

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
84.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4292462

Name:
(E)-1-(5-Benzoyl-6-methylindolizin-7-yl)-3-(3,5-di
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Mol. Formula:
C27H23NO4

M.W.:
425.48

16 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4284695

Name:
2-(4-bromo-2-((4-oxo-3-(pyridin-2-ylmethyl)-2-thio
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Mol. Formula:
C18H13BrN2O4S2

M.W.:
465.35

5 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
79.73

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4229269

Name:
NA

Mol. Formula:
C25H25BrN2O5

M.W.:
513.39

16 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
93.81

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4228947

Name:
NA

Mol. Formula:
C23H23F3O5

M.W.:
436.43

12 activity values

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4228003

Name:
(3aS,5S,9aR,10aS,10bS,E)-6,9a-Dimethyl-3-methylene
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Mol. Formula:
C22H23F2NO5

M.W.:
419.42

13 activity values

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
77.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4227983

Name:
NA

Mol. Formula:
C24H22F6O5

M.W.:
504.42

18 activity values