Compounds

ALA538831

Name:
4-phenyl-3-(1-(thiophen-3-ylmethyl)piperidin-4-yl)
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Mol. Formula:
C24H26ClN3OS

M.W.:
440.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA557192

Name:
3-(1-(3,5-dimethoxybenzyl)piperidin-4-yl)-4-phenyl
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Mol. Formula:
C28H32ClN3O3

M.W.:
494.04

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
54.04

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA538088

Name:
4-phenyl-3-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-
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Mol. Formula:
C25H27ClN4O

M.W.:
434.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
48.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA538575

Name:
3-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-phenyl-3,
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Mol. Formula:
C27H30ClN3O

M.W.:
448.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA538328

Name:
4-phenyl-3-(1-(thiophen-2-ylmethyl)piperidin-4-yl)
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Mol. Formula:
C24H26ClN3OS

M.W.:
440.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA536734

Name:
4-phenyl-3-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-
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Mol. Formula:
C25H27ClN4O

M.W.:
434.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
48.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA535609

Name:
3-(1-(3,4,5-trimethoxybenzyl)piperidin-4-yl)-4-phe
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Mol. Formula:
C29H34ClN3O4

M.W.:
524.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
63.27

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA535382

Name:
3-(1-(3-(methoxymethyl)benzyl)piperidin-4-yl)-4-ph
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Mol. Formula:
C28H32ClN3O2

M.W.:
478.04

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA557778

Name:
3-(1-(3-ethoxybenzyl)piperidin-4-yl)-4-phenyl-3,4-
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Mol. Formula:
C28H32ClN3O2

M.W.:
478.04

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA535380

Name:
3-(1-(furan-2-ylmethyl)piperidin-4-yl)-4-phenyl-3,
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Mol. Formula:
C24H26ClN3O2

M.W.:
423.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
48.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA382651

Name:
4-phenyl-3-(1-(pyridin-4-ylmethyl)piperidin-4-yl)-
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Mol. Formula:
C25H26N4O

M.W.:
398.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
48.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA381301

Name:
3-(1-(4-methoxybenzyl)piperidin-4-yl)-4-phenyl-3,4
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Mol. Formula:
C27H29N3O2

M.W.:
427.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA201338

Name:
3-(1-(3-methoxybenzyl)piperidin-4-yl)-4-phenyl-3,4
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Mol. Formula:
C27H29N3O2

M.W.:
427.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA378579

Name:
3-(1-(2-methoxybenzyl)piperidin-4-yl)-4-phenyl-3,4
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Mol. Formula:
C27H29N3O2

M.W.:
427.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA201390

Name:
3-(1-(4-chlorobenzyl)piperidin-4-yl)-4-phenyl-3,4-
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Mol. Formula:
C26H26ClN3O

M.W.:
431.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA201035

Name:
3-(1-(3-chlorobenzyl)piperidin-4-yl)-4-phenyl-3,4-
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Mol. Formula:
C26H26ClN3O

M.W.:
431.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA201875

Name:
3-(1-(2-chlorobenzyl)piperidin-4-yl)-4-phenyl-3,4-
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Mol. Formula:
C26H26ClN3O

M.W.:
431.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA201213

Name:
3-(1-(furan-3-ylmethyl)piperidin-4-yl)-4-phenyl-3,
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Mol. Formula:
C24H25N3O2

M.W.:
387.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
48.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA383737

Name:
Val-Met-Arg-Phe-NH2

Mol. Formula:
C25H42N8O4S

M.W.:
550.73

1 activity values

1 unique targets

Type:
Protein

AlogP:
-1.04

Polar Surface Area:
220.81

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS