Compounds

ALA3220196

Name:
1-(1-(3-bromobenzoyl)piperidin-4-yl)-1-methylpyrrolidinium

Mol. Formula:
C17H24BrN2O+

M.W.:
352.30

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3220194

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

Mol. Formula:
C13H17BrN2O

M.W.:
297.20

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA3220193

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

Mol. Formula:
C14H19BrN2O

M.W.:
311.22

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3220190

Name:
N-methyl-3-(4-(pyrrolidin-1-yl)piperidine-1-carbonyl)benzamide

Mol. Formula:
C18H25N3O2

M.W.:
315.42

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3220189

Name:
3-(4-(pyrrolidin-1-yl)piperidine-1-carbonyl)benzoic acid

Mol. Formula:
C17H22N2O3

M.W.:
302.37

11 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3219949

Name:
phenyl(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone

Mol. Formula:
C16H22N2O

M.W.:
258.37

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA3219947

Name:
(4-bromophenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone

Mol. Formula:
C16H21BrN2O

M.W.:
337.26

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1275667

Name:
3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylpropan-1-amine

Mol. Formula:
C17H19NOS

M.W.:
285.41

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1275666

Name:
2-isopropyl-5-(methylamino)-2-o-tolylpentanenitrile

Mol. Formula:
C16H24N2

M.W.:
244.38

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
35.82

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS