Compounds

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
118.51

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2115016

Name:
2-{4-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethoxy]-
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Mol. Formula:
C20H26N2O5

M.W.:
374.44

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
89.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2115015

Name:
N-(2-Hydroxy-ethyl)-2-{4-[2-(2-hydroxy-3-phenoxy-p
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Mol. Formula:
C21H28N2O6

M.W.:
404.46

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
109.28

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2115011

Name:
{4-[2-(2-Hydroxy-3-phenoxy-propylamino)-propoxy]-p
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Mol. Formula:
C21H29NO7

M.W.:
407.46

4 activity values

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2113709

Name:
N-(2-Hydroxy-1-methyl-ethyl)-2-{4-[2-(2-hydroxy-3-
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Mol. Formula:
C22H32N2O7

M.W.:
436.51

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
109.28

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1907966

Name:
(S)-{4-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethoxy
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Mol. Formula:
C20H25NO6

M.W.:
375.42

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1788312

Name:
(S)-2-{4-[2-(2-Hydroxy-3-phenoxy-propylamino)-etho
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Cas Number:
129689-30-1

Mol. Formula:
C22H30N2O6

M.W.:
418.49

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
98.28

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1743911

Name:
(3-{2-[3-(2-Fluoro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C20H25ClFNO6

M.W.:
429.87

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1743910

Name:
(4-{2-[3-(2-Fluoro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C19H23ClFNO6

M.W.:
415.85

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
97.25

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1743909

Name:
(4-{2-[3-(2-Chloro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C20H25Cl2NO6

M.W.:
446.33

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1743908

Name:
(4-{2-[3-(3-Fluoro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C20H25ClFNO6

M.W.:
429.87

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1743907

Name:
(4-{2-[3-(2-Fluoro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C20H25ClFNO6

M.W.:
429.87

4 activity values

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1743906

Name:
(4-{2-[3-(4-Chloro-phenoxy)-2-hydroxy-propylamino]
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Mol. Formula:
C20H25Cl2NO6

M.W.:
446.33

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
86.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1743905

Name:
(4-{2-[2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino
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Mol. Formula:
C20H26ClNO7

M.W.:
427.88

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
106.48

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1409461

Name:
(R)-2-{4-[2-(2-Hydroxy-3-phenoxy-propylamino)-etho
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Mol. Formula:
C22H30N2O6

M.W.:
418.49

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
98.28

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA421193

Name:
Disodium salt of (S)-6-[(R)-2-(3-Chloro-phenyl)-2-
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Mol. Formula:
C22H20ClNNa2O7

M.W.:
491.84

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
125.32

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA58625

Name:
5-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyla
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Mol. Formula:
C27H32ClNO7

M.W.:
518.01

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
114.32

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA418302

Name:
5-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyla
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Mol. Formula:
C24H30ClNO7Si

M.W.:
508.04

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA57634

Name:
5-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyla
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Mol. Formula:
C25H32ClNO7Si

M.W.:
522.07