Compounds

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3220203

Name:
rac-1-(1-(3-bromophenyl)ethyl)-4-(pyrrolidin-1-yl)piperidine

Mol. Formula:
C17H25BrN2

M.W.:
337.31

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3217781

Name:
1-(3-bromobenzyl)-4-(pyrrolidin-1-yl)piperidine

Mol. Formula:
C16H23BrN2

M.W.:
323.28

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3220202

Name:
1-(3-bromophenylsulfonyl)-4-(pyrrolidin-1-yl)piperidine

Mol. Formula:
C15H21BrN2O2S

M.W.:
373.32

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3220195

Name:
(4-(azetidin-1-yl)piperidin-1-yl)(3-bromophenyl)methanone

Mol. Formula:
C15H19BrN2O

M.W.:
323.23

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2426478

Name:
(2-amino-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)

Mol. Formula:
C26H39N5O2

M.W.:
453.63

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
73.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2426477

Name:
(2-nitro-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)

Mol. Formula:
C26H37N5O4

M.W.:
483.61

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
90.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2426476

Name:
(2-bromo-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)

Mol. Formula:
C26H37BrN4O2

M.W.:
517.51

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2424678

Name:
pyridine-2,5-diylbis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)

Mol. Formula:
C25H37N5O2

M.W.:
439.60

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
59.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2426475

Name:
1,4-phenylenebis((4-(dimethylamino)piperidin-1-yl)methanone)

Mol. Formula:
C22H34N4O2

M.W.:
386.54

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

UNC1079

Name:
1,4-phenylenebis(1,4'-bipiperidin-1'-ylmethanone)

Mol. Formula:
C28H42N4O2

M.W.:
466.67

20 activity values

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2426473

Name:
1,4-phenylenebis((4-(1-methylpyrrolidin-2-yl)piperidin-1-yl)methanone)

Mol. Formula:
C28H42N4O2

M.W.:
466.67

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2426472

Name:
1,4-phenylenebis((4-(pyrrolidin-2-yl)piperidin-1-yl)methanone)

Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
64.68

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2426471

Name:
1,4-phenylenebis((4-(azetidin-1-yl)piperidin-1-yl)methanone)

Mol. Formula:
C24H34N4O2

M.W.:
410.56

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2426470

Name:
1,4-phenylenebis((8-(pyrrolidin-1-yl)-3-azabicyclo[3.2.1]octan-3-yl)methanoShow More⌵

Mol. Formula:
C30H42N4O2

M.W.:
490.69

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2426469

Name:
1,4-phenylenebis((4-(pyrrolidin-1-yl)azepan-1-yl)methanone)

Mol. Formula:
C28H42N4O2

M.W.:
466.67

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2426468

Name:
N-(2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl)-4-(4-(pyrrolidin-1-yl)piperShow More⌵

Mol. Formula:
C25H37N5O2

M.W.:
439.60

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
59.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2426467

Name:
(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-(4-(pyrrolidin-1-yl)piperidine-1Show More⌵

Mol. Formula:
C23H32N4O2

M.W.:
396.54

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2426466

Name:
(4-(2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl)(4-(pyrrolidin-1-yl)piperidShow More⌵

Mol. Formula:
C25H36N4O2

M.W.:
424.59

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2426465

Name:
(4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)phenyl)(4-(pyrrolidin-1-yl)piperidShow More⌵

Mol. Formula:
C24H34N4O2

M.W.:
410.56