Compounds

ALA3392321

Name:
1-{2-[3-(2-Cyano-phenoxy)-2-hydroxy-propylamino]-ethyl}-3-phenyl-urea

Mol. Formula:
C19H24N4O4

M.W.:
372.43

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
106.41

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3392276

Name:
N-[6-(2-Hydroxy-3-phenoxy-propylamino)-hexyl]-acetamide; compound with oxalShow More⌵

Mol. Formula:
C19H30N2O7

M.W.:
398.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3392275

Name:
2,5-Dihydroxy-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-benzamide; compShow More⌵

Mol. Formula:
C20H24N2O9

M.W.:
436.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3392274

Name:
3,4-Dihydroxy-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-benzamide; compShow More⌵

Mol. Formula:
C20H24N2O9

M.W.:
436.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3392273

Name:
[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-carbamic acid 1-(4-chloro-phenyShow More⌵

Mol. Formula:
C23H29ClN2O8

M.W.:
496.94

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
79.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3392272

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-2-methoxy-acetamide; compoundShow More⌵

Mol. Formula:
C16H24N2O8

M.W.:
372.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.22

Polar Surface Area:
79.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3392271

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-2-phenoxy-acetamide; compoundShow More⌵

Mol. Formula:
C21H28N2O9

M.W.:
452.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
79.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3392270

Name:
3-Amino-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-4-methyl-5-nitro-benzShow More⌵

Mol. Formula:
C20H26N4O10S

M.W.:
514.51

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.79

Polar Surface Area:
156.82

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3392269

Name:
N-{2-[2-Hydroxy-3-(2-nitro-phenoxy)-propylamino]-ethyl}-2,2-dimethyl-propioShow More⌵

Mol. Formula:
C18H27N3O9

M.W.:
429.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
113.73

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3392268

Name:
2-Dimethylamino-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-benzamide hydShow More⌵

Mol. Formula:
C20H29N3O4

M.W.:
375.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
73.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3392267

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-2-methyl-propyl]-isobutyramide hydraShow More⌵

Mol. Formula:
C17H30N2O4

M.W.:
326.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3392266

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-methanesulfonamide; compound Show More⌵

Mol. Formula:
C14H22N2O8S

M.W.:
378.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
87.66

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3392265

Name:
Propane-2-sulfonic acid [2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-amide; Show More⌵

Mol. Formula:
C16H26N2O8S

M.W.:
406.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.34

Polar Surface Area:
87.66

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3392264

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-2-methyl-propyl]-2-phenyl-acetamide Show More⌵

Mol. Formula:
C21H30N2O4

M.W.:
374.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3392263

Name:
N-{2-[3-(2-Cyano-phenoxy)-2-hydroxy-propylamino]-ethyl}-2,2-dimethyl-propioShow More⌵

Mol. Formula:
C19H29N3O8

M.W.:
427.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.05

Polar Surface Area:
94.38

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3392262

Name:
2-Hydroxy-N-[2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-acetamide; compoundShow More⌵

Mol. Formula:
C15H22N2O8

M.W.:
358.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
90.82

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3392261

Name:
N-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-2-(2-methoxy-phenoxy)-acetamiShow More⌵

Mol. Formula:
C22H30N2O10

M.W.:
482.49

2 activity values

1 unique targets

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

ALA3392260

Name:
1-[2-(2-Hydroxy-3-phenoxy-propylamino)-ethyl]-3-phenyl-urea hydrate

Mol. Formula:
C18H25N3O4

M.W.:
347.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
82.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3392259

Name:
1-{2-[2-Hydroxy-3-(2-vinyl-phenoxy)-propylamino]-ethyl}-3-phenyl-urea; compShow More⌵

Mol. Formula:
C22H27N3O7

M.W.:
445.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
82.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3392258

Name:
1-{2-[3-(2-Acetyl-phenoxy)-2-hydroxy-propylamino]-ethyl}-3-phenyl-urea; comShow More⌵

Mol. Formula:
C22H27N3O8

M.W.:
461.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS