Compounds

ALA4537221

Name:
(S)-1-((4-(2-((2-Aminoethyl)disulfanyl)ethoxy)-3-m
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Mol. Formula:
C26H34N2O4S2

M.W.:
502.70

7 activity values

3 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
85.97

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4470694

Name:
(R)-4-(2-Hydroxy-3-((3-methoxy-4-(3-phenylpropoxy)
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Mol. Formula:
C27H33NO6

M.W.:
467.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
100.41

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3797758

Name:
4-(2-((2-(2-Methoxyphenoxy)ethyl)amino)ethyl)benze
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Mol. Formula:
C17H21NO4

M.W.:
303.36

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
70.95

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3799593

Name:
(S)-4-(1-Hydroxy-2-((2-(2-methoxyphenoxy)ethyl)ami
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Mol. Formula:
C17H21NO5

M.W.:
319.36

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
91.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3797876

Name:
(R)-4-(1-Hydroxy-2-((2-(2-methoxyphenoxy)ethyl)ami
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Mol. Formula:
C17H21NO5

M.W.:
319.36

34 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
91.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3800341

Name:
5-Hydroxy-8-[2-[[3-methoxy-4-(3-phenylpropoxy)phen
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Mol. Formula:
C28H32N2O5

M.W.:
476.57

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
89.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3797205

Name:
(S)-5-Hydroxy-8-[1-hydroxy-2-[[3-methoxy-4-(3-phen
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Mol. Formula:
C28H32N2O6

M.W.:
492.57

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
109.28

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3798748

Name:
(R)-5-Hydroxy-8-[1-hydroxy-2-[[3-methoxy-4-(3-phen
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Mol. Formula:
C28H32N2O6

M.W.:
492.57

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
109.28

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3800636

Name:
4-(2-((3-Methoxy-4-(3-phenylpropoxy)phenethyl)amin
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Mol. Formula:
C26H31NO4

M.W.:
421.54

16 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
70.95

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3799427

Name:
(S)-4-(1-Hydroxy-2-((3-methoxy-4-(3-phenylpropoxy)
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Mol. Formula:
C26H31NO5

M.W.:
437.54

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
91.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3800303

Name:
(R)-4-(1-Hydroxy-2-((3-methoxy-4-(3-phenylpropoxy)
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Mol. Formula:
C26H31NO5

M.W.:
437.54

34 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
91.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3799455

Name:
8-Hydroxy-5-[2-[[3-methoxy-4-(3-phenylpropoxy)phen
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Mol. Formula:
C29H32N2O4

M.W.:
472.59

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
83.58

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3800468

Name:
(S)-8-hydroxy-5-(1-hydroxy-2-(3-methoxy-4-(3-pheny
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Mol. Formula:
C29H32N2O5

M.W.:
488.58

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
103.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3800400

Name:
(R)-8-hydroxy-5-(1-hydroxy-2-(3-methoxy-4-(3-pheny
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Mol. Formula:
C29H32N2O5

M.W.:
488.58

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
103.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4451135

Name:
(R)-1-(9H-Carbazol-4-yl)-2-{[2-(2-methoxyphenoxy)e
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Mol. Formula:
C23H24N2O3

M.W.:
376.46

10 activity values

3 unique targets

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
66.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4436343

Name:
N-[2-(9H-Carbazol-4-yl)ethyl]-2-(2-methoxyphenoxy)
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Mol. Formula:
C23H24N2O2

M.W.:
360.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
46.28

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS