Compounds

ALA3597324

Name:
(4-fluorophenyl)((6R,7R)-6-hydroxy-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetraShow More⌵

Mol. Formula:
C28H28FNO2

M.W.:
429.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3597322

Name:
(1-(5-(2-Fluoroethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidiShow More⌵

Mol. Formula:
C24H27F2NO3

M.W.:
415.48

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3597321

Name:
(+)-(1-(8-(2-Fluoroethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)pipeShow More⌵

Mol. Formula:
C24H27F2NO3

M.W.:
415.48

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3597320

Name:
(1-(8-(2-Fluoroethoxy)-3-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)piperidShow More⌵

Mol. Formula:
C24H27F2NO3

M.W.:
415.48

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3597319

Name:
(1-(3,8-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)(4-fluorShow More⌵

Mol. Formula:
C22H24FNO3

M.W.:
369.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3597318

Name:
(1-(3,5-Dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-piperidin-4-yl)(4-fluoShow More⌵

Mol. Formula:
C22H24FNO3

M.W.:
369.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3597317

Name:
(4-(2-(2-(2-Fluoroethoxy)ethoxy)ethoxy)phenyl)(1-((2R,3R)-3-hydroxy-1,2,3,4Show More⌵

Mol. Formula:
C28H36FNO5

M.W.:
485.60

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
68.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3597316

Name:
(4-(2-(2-Fluoroethoxy)ethoxy)phenyl)(1-((2R,3R)-3-hydroxy-1,2,3,4-tetrahydrShow More⌵

Mol. Formula:
C26H32FNO4

M.W.:
441.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
59.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3597315

Name:
(4-(2-Fluoroethoxy)phenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)pShow More⌵

Mol. Formula:
C24H28FNO3

M.W.:
397.49

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2079665

Name:
(cis)-2-(4-Phenyl-piperidin-1-ylmethyl)-cyclohexanol

Mol. Formula:
C18H27NO

M.W.:
273.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2079585

Name:
(trans)-2-(4-Phenyl-piperidin-1-ylmethyl)-cyclohexanol

Mol. Formula:
C18H27NO

M.W.:
273.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2047240

Name:
((3'R,4'R)-3'-hydroxy-1'-(5-methylthiophene-2-carbonyl)-1,4'-bipiperidin-4-Show More⌵

Mol. Formula:
C26H32N2O8S

M.W.:
532.62

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2047239

Name:
((3'R,4'R)-3'-hydroxy-1'-(thiophene-2-carbonyl)-1,4'-bipiperidin-4-yl)(4-meShow More⌵

Mol. Formula:
C25H30N2O8S

M.W.:
518.59

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2047238

Name:
((3'R,4'R)-4-(4-fluorobenzoyl)-3'-hydroxy-1,4'-bipiperidin-1'-yl)(3-methyltShow More⌵

Mol. Formula:
C25H29FN2O7S

M.W.:
520.58

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
60.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2047237

Name:
((3'R,4'R)-4-(4-fluorobenzoyl)-3'-hydroxy-1,4'-bipiperidin-1'-yl)(thiophen-Show More⌵

Mol. Formula:
C24H27FN2O7S

M.W.:
506.55

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
60.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2047236

Name:
((3'R,4'R)-4'-hydroxy-1'-(3-methylthiophene-2-carbonyl)-1,3'-bipiperidin-4-Show More⌵

Mol. Formula:
C26H32N2O8S

M.W.:
532.62

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2047235

Name:
((3'R,4'R)-4'-hydroxy-1'-(5-methylthiophene-2-carbonyl)-1,3'-bipiperidin-4-Show More⌵

Mol. Formula:
C26H32N2O8S

M.W.:
532.62

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2047234

Name:
((3'R,4'R)-4'-hydroxy-1'-(thiophene-2-carbonyl)-1,3'-bipiperidin-4-yl)(4-meShow More⌵

Mol. Formula:
C25H30N2O8S

M.W.:
518.59

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2047233

Name:
((3'R,4'R)-4'-hydroxy-1'-nicotinoyl-1,3'-bipiperidin-4-yl)(4-methoxyphenyl)Show More⌵

Mol. Formula:
C26H31N3O8

M.W.:
513.55

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
82.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2047232

Name:
((3'R,4'R)-1'-benzoyl-4'-hydroxy-1,3'-bipiperidin-4-yl)(4-methoxyphenyl)metShow More⌵

Mol. Formula:
C27H32N2O8

M.W.:
512.56

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
70.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS