Compounds

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1169564

Name:
1-(Bicyclo[3.1.0]hex-3-yl-phenyl-methyl)-piperidine

Mol. Formula:
C18H25N

M.W.:
255.41

4 activity values

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA367030

Name:
(2S,4R)-4-(1H-Tetrazol-5-yl)-pyrrolidine-2-carboxylic acid

Mol. Formula:
C6H9N5O2

M.W.:
183.17

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA176910

Name:
(2R,4S)-4-(1H-Tetrazol-5-yl)-pyrrolidine-2-carboxylic acid

Mol. Formula:
C6H9N5O2

M.W.:
183.17

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA172807

Name:
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-Show More⌵

Mol. Formula:
C23H28N2O2

M.W.:
364.49

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA427116

Name:
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-Show More⌵

Mol. Formula:
C23H28N2O2

M.W.:
364.49

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA173092

Name:
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indoShow More⌵

Mol. Formula:
C22H25FN2O2

M.W.:
368.45

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA366809

Name:
5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-propyl]-1,3-dihydro-indol-Show More⌵

Mol. Formula:
C22H26N2O2

M.W.:
350.46

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA265584

Name:
3-Phenyl-3-piperidin-1-yl-cyclohexanol

Mol. Formula:
C17H25NO

M.W.:
259.39

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA114514

Name:
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indole

Mol. Formula:
C24H26N2

M.W.:
342.49

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA117533

Name:
6-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indole

Mol. Formula:
C24H26N2

M.W.:
342.49

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA325890

Name:
6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-3H-benzooxazol-2-one

Mol. Formula:
C22H22N2O2

M.W.:
346.43

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
49.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA114667

Name:
6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1-methyl-1,3-dihydro-benzoimidaShow More⌵

Mol. Formula:
C23H25N3O

M.W.:
359.47

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA325825

Name:
5-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-prop-1-ynyl}-1,3-dihydro-benzoimiShow More⌵

Mol. Formula:
C22H22ClN3O

M.W.:
379.89

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
52.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA419399

Name:
5-{3-[4-(4-Methyl-benzyl)-piperidin-1-yl]-prop-1-ynyl}-1,3-dihydro-benzoimiShow More⌵

Mol. Formula:
C23H25N3O

M.W.:
359.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
52.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA79904

Name:
4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenol

Mol. Formula:
C21H23NO

M.W.:
305.42

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA83781

Name:
4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol

Mol. Formula:
C22H25NO

M.W.:
319.45

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA307113

Name:
1-(1-Thiophen-2-yl-cyclohexyl)-1,2,3,6-tetrahydro-pyridine

Mol. Formula:
C15H21NS

M.W.:
247.41

2 activity values

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA70749

Name:
1-[1-(3,5-Dimethoxy-phenyl)-cyclohexyl]-1,2,3,6-tetrahydro-pyridine

Mol. Formula:
C19H27NO2

M.W.:
301.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA306450

Name:
1-[1-(3-Methoxy-phenyl)-cyclohexyl]-1,2,3,6-tetrahydro-pyridine HCl

Mol. Formula:
C18H25NO

M.W.:
271.40

2 activity values