Compounds

Type:
Small molecule

AlogP:
-0.87

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4175528

Name:
5-Cyclohexyl-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidin-2-yl)methyl)pentanShow More⌵

Mol. Formula:
C17H32N2O4

M.W.:
328.45

Type:
Small molecule

AlogP:
0.30

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4175482

Name:
(2S,3S,4R,5S)-2-(Aminomethyl)piperidine-3,4,5-triol

Mol. Formula:
C6H14N2O3

M.W.:
162.19

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4173174

Name:
(E)-3-(5-Bromo-2-methoxyphenyl)-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidinShow More⌵

Mol. Formula:
C16H21BrN2O5

M.W.:
401.26

14 activity values

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4172035

Name:
(2R,3S,4S,5S)-2-(Aminomethyl)piperidine-3,4,5-triol

Mol. Formula:
C6H14N2O3

M.W.:
162.19

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4168689

Name:
(E)-3-(4-(Trifluoromethyl)phenyl)-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidShow More⌵

Mol. Formula:
C16H19F3N2O4

M.W.:
360.33

Type:
Small molecule

AlogP:
-0.11

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4165270

Name:
3,7-Dimethyl-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidin-2-yl)methyl)oct-6-Show More⌵

Mol. Formula:
C16H30N2O4

M.W.:
314.43

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4164910

Name:
(E)-3-(2,5-Dimethoxyphenyl)-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidin-2-yShow More⌵

Mol. Formula:
C17H24N2O6

M.W.:
352.39

8 activity values

Type:
Small molecule

AlogP:
-1.11

Polar Surface Area:
120.28

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4164847

Name:
(2R,3S,4R,5S)-2-(Aminomethyl)piperidine-3,4,5-triol

Mol. Formula:
C6H14N2O3

M.W.:
162.19

10 activity values

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4161435

Name:
(2S,3S,4S,5S)-2-(Aminomethyl)piperidine-3,4,5-triol

Mol. Formula:
C6H14N2O3

M.W.:
162.19

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
98.74

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4160428

Name:
(E)-3-(3-Bromophenyl)-N-(((2R,3S,4R,5S)-3,4,5-trihydroxypiperidin-2-yl)methShow More⌵

Mol. Formula:
C15H19BrN2O4

M.W.:
371.23

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4105573

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2,Show More⌵

Mol. Formula:
C15H22N2O6

M.W.:
326.35

Type:
Small molecule

AlogP:
-1.51

Polar Surface Area:
120.28

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4104370

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2-Show More⌵

Mol. Formula:
C18H34N2O5

M.W.:
358.48

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4103974

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-4-Show More⌵

Mol. Formula:
C14H20N2O4

M.W.:
280.32

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4103918

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2-Show More⌵

Mol. Formula:
C15H19F3N2O4

M.W.:
348.32

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4103479

Name:
2-cyclopentyl-N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2Show More⌵

Mol. Formula:
C13H24N2O4

M.W.:
272.35

Type:
Small molecule

AlogP:
-1.26

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4102996

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2,Show More⌵

Mol. Formula:
C15H22N2O6

M.W.:
326.35

Type:
Small molecule

AlogP:
-1.51

Polar Surface Area:
120.28

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4102645

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2-Show More⌵

Mol. Formula:
C12H24N2O7

M.W.:
308.33

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
129.51

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4101655

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-2-Show More⌵

Mol. Formula:
C15H22N2O5

M.W.:
310.35

Type:
Small molecule

AlogP:
-1.59

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4101240

Name:
N-(((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)methyl)-3,Show More⌵

Mol. Formula:
C13H16N4O8

M.W.:
356.29