Compounds

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4250942

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C27H30N4O4

M.W.:
474.56

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
107.64

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4250902

Name:
Methyl (S)-(4-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethylShow More⌵

Mol. Formula:
C28H31N5O5

M.W.:
517.59

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
136.74

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4250215

Name:
(S)-N-(4-(2-((3-(2-ethylphenoxy)-2-hydroxypropyl)amino)ethyl)phenyl)benzamiShow More⌵

Mol. Formula:
C26H30N2O3

M.W.:
418.54

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4249769

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C26H27FN4O3

M.W.:
462.53

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4249564

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C26H28N4O3

M.W.:
444.54

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4249199

Name:
Methyl (S)-(2-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethylShow More⌵

Mol. Formula:
C28H31N5O5

M.W.:
517.59

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
136.74

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4248727

Name:
(S)-1-(4-(2-((3-(2-ethylphenoxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-phenShow More⌵

Mol. Formula:
C26H31N3O2S

M.W.:
449.62

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
65.55

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4248369

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C23H30N4O3

M.W.:
410.52

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4248093

Name:
(S)-N-(4-(2-((3-(2-ethylphenoxy)-2-hydroxypropyl)amino)ethyl)phenyl)benzeneShow More⌵

Mol. Formula:
C25H30N2O4S

M.W.:
454.59

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
87.66

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4247910

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C26H27FN4O3

M.W.:
462.53

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4246625

Name:
(S)-N-(2-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenShow More⌵

Mol. Formula:
C32H39N5O4

M.W.:
557.69

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
127.51

HBA:
5

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4246134

Name:
(S)-N-(4-(2-((3-(3-(acetamidomethyl)phenoxy)-2-hydroxypropyl)amino)ethyl)phShow More⌵

Mol. Formula:
C27H31N3O4

M.W.:
461.56

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4245968

Name:
(S)-N-(4-(2-((3-(2-ethylphenoxy)-2-hydroxypropyl)amino)ethyl)phenyl)-2-phenShow More⌵

Mol. Formula:
C27H32N2O3

M.W.:
432.56

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4245391

Name:
(S)-N-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)benShow More⌵

Mol. Formula:
C25H27N3O4S

M.W.:
465.58

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
103.45

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4244932

Name:
Methyl (S)-(3-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethylShow More⌵

Mol. Formula:
C28H31N5O5

M.W.:
517.59

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
136.74

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4244929

Name:
(S)-N-(4-(2-((3-(3-(acetamidomethyl)phenoxy)-2-hydroxypropyl)amino)ethyl)phShow More⌵

Mol. Formula:
C28H33N3O4

M.W.:
475.59

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4244608

Name:
(S)-N-(3-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenShow More⌵

Mol. Formula:
C32H39N5O5

M.W.:
573.69

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
136.74

HBA:
6

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4244123

Name:
(S)-1-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenyl)-3-Show More⌵

Mol. Formula:
C28H32N4O3

M.W.:
472.59

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
98.41

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4242824

Name:
(S)-N-(4-(3-(4-(2-((3-((1H-indol-4-yl)oxy)-2-hydroxypropyl)amino)ethyl)phenShow More⌵

Mol. Formula:
C32H39N5O5

M.W.:
573.69