Compounds

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA1204310

Name:
4-Phenyl-[1,3']bipiperidinyl-4'-ol dihydrochloride

Mol. Formula:
C16H26Cl2N2O

M.W.:
333.30

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
35.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA1204210

Name:
1'-(3-Iodo-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol dihydrochloride

Mol. Formula:
C23H31Cl2IN2O

M.W.:
549.32

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1204052

Name:
rans-8-Amino-3-(4-(piperidyl)carbonylpiperidyl)-2-hydroxy-1,2,3,4,tetrahydrShow More⌵

Mol. Formula:
C21H32ClN3O2

M.W.:
393.96

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
69.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1204051

Name:
rans-5-Amino-3-[4-(piperidyl)carbonylpiperidyl]-2-hydroxy-1,2,3,4,tetrahydrShow More⌵

Mol. Formula:
C21H32ClN3O2

M.W.:
393.96

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
69.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1204050

Name:
trans-3-[4-Ethoxycarbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydronaphthaleneShow More⌵

Mol. Formula:
C18H26ClNO3

M.W.:
339.86

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA1204049

Name:
trans-3-[4-(4-Benzylpiperazinyl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahShow More⌵

Mol. Formula:
C27H36ClN3O2

M.W.:
470.06

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
47.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1204048

Name:
trans-3-[4-(4-Benzylpiperidyl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydShow More⌵

Mol. Formula:
C28H37ClN2O2

M.W.:
469.07

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1204047

Name:
trans-3-[4-(4-Phenylpiperidyl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydShow More⌵

Mol. Formula:
C27H35ClN2O2

M.W.:
455.04

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1204046

Name:
Trans-3-[4-(piperidyl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydronaphthShow More⌵

Mol. Formula:
C21H31ClN2O2

M.W.:
378.94

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA1204045

Name:
8-Amino-3-[4-(5-bromothien-2-yl)carbonylpiperidinyl]-2-hydroxy-1,2,3,4-tetrShow More⌵

Mol. Formula:
C20H24BrClN2O2S

M.W.:
471.85

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
66.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1204044

Name:
8-Amino-3-[4-(thien-2-yl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydronapShow More⌵

Mol. Formula:
C20H25ClN2O2S

M.W.:
392.95

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
66.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1204043

Name:
8-Amino-3-[4-(p-fluorobenzoyl)-piperidinyl]-2-hydroxy-1,2,3,4,tetrahydronapShow More⌵

Mol. Formula:
C22H26ClFN2O2

M.W.:
404.91

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
66.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1204042

Name:
5-Amino-3-[4-(5-bromothien-2-yl)carbonylpiperidinyl]-2-hydroxy-1,2,3,4-tetrShow More⌵

Mol. Formula:
C20H24BrClN2O2S

M.W.:
471.85

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
66.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1204041

Name:
5-Amino-3-[4-(thien-2-yl)carbonylpiperidyl]-2-hydroxy-1,2,3,4-tetrahydronapShow More⌵

Mol. Formula:
C20H25ClN2O2S

M.W.:
392.95

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
66.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1204040

Name:
5-Amino-3-[4-(p-bromobenzoyl)piperidinyl]-2-hydroxy-1,2,3,4,tetrahydronaphtShow More⌵

Mol. Formula:
C22H26BrClN2O2

M.W.:
465.82

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
66.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1204039

Name:
5-Amino-3-[4-(p-fluorobenzoyl)piperidinyl]-2-hydroxy-1,2,3,4,tetrahydronaphShow More⌵

Mol. Formula:
C22H26ClFN2O2

M.W.:
404.91

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
66.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1204038

Name:
trans-3-[4-(5-Iodothienylcarbonyl)piperidinyl]-2-hydroxy-1,2,3,4-tetrahydroShow More⌵

Mol. Formula:
C20H23ClINO2S

M.W.:
503.83

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
40.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1204037

Name:
trans-3-[4-(5-Bromothienylcarbonyl)piperidinyl]-2-hydroxy-1,2,3,4-tetrahydrShow More⌵

Mol. Formula:
C20H23BrClNO2S

M.W.:
456.83

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
40.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1204036

Name:
trans-2-Hydroxy-3-[4-(thien-2-yl)carbonylpiperidinyl]-1,2,3,4-tetrahydronapShow More⌵

Mol. Formula:
C20H24ClNO2S

M.W.:
377.94