Compounds

ALA4105436

Name:
Methyl 3-(2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)acetamido)benzoate

Mol. Formula:
C24H31NO4

M.W.:
397.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4103353

Name:
Methyl 3-(2-(4-Adamantan-1-yl-phenoxy)acetamido)-4-(3-morpholinopropoxy)benShow More⌵

Mol. Formula:
C33H42N2O6

M.W.:
562.71

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
86.33

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4099949

Name:
N-(4-(4-Methylpiperazin-1-yl)phenyl)-2-(4-(2,4,4-trimethylpentan-2-yl)phenoShow More⌵

Mol. Formula:
C27H39N3O2

M.W.:
437.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4098767

Name:
Methyl3-(2-(4-Adamantan-1-yl-phenoxy)-2-methylpropanamido)benzoate

Mol. Formula:
C28H33NO4

M.W.:
447.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4096306

Name:
Prop-2-ynyl 4-Hydroxy-3-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)acetamidoShow More⌵

Mol. Formula:
C26H31NO5

M.W.:
437.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4095604

Name:
Methyl 4-(2-Methoxyethoxy)-3-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)acetShow More⌵

Mol. Formula:
C27H37NO6

M.W.:
471.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4095380

Name:
Methyl 4-Hydroxy-3-(2-methyl-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propaShow More⌵

Mol. Formula:
C26H35NO5

M.W.:
441.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4090211

Name:
Methyl 3-(2-(4-Nitrophenoxy)acetamido)benzoate

Mol. Formula:
C16H14N2O6

M.W.:
330.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
107.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4089556

Name:
Methyl 3-(2-(4-Propylphenoxy)acetamido)benzoate

Mol. Formula:
C19H21NO4

M.W.:
327.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4087903

Name:
Methyl 4-(Prop-2-ynyloxy)-3-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)acetaShow More⌵

Mol. Formula:
C27H33NO5

M.W.:
451.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4087563

Name:
Methyl 3-(2-(4-Cyclohexylphenoxy)acetamido)benzoate

Mol. Formula:
C22H25NO4

M.W.:
367.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4086789

Name:
1-(4-(4-(Trifluoromethyl)benzyl)piperazin-1-yl)-2-(4-(2,4,4-trimethylpentanShow More⌵

Mol. Formula:
C28H37F3N2O2

M.W.:
490.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4086585

Name:
Methyl 3-(2-(4-Ethylphenoxy)acetamido)benzoate

Mol. Formula:
C18H19NO4

M.W.:
313.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4085170

Name:
Methyl 3-(2-(4-Pentylphenoxy)acetamido)benzoate

Mol. Formula:
C21H25NO4

M.W.:
355.43

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4080721

Name:
Methyl 4-Hydroxy-3-(4-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)butanamido)benShow More⌵

Mol. Formula:
C26H35NO5

M.W.:
441.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4079103

Name:
Methyl 3-(2-(4-Adamantan-1-yl-phenoxy)acetamido)-4-(2-(pyrrolidin-1-yl)ethoShow More⌵

Mol. Formula:
C32H40N2O5

M.W.:
532.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
77.10

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4078740

Name:
Methyl 3-(2-(4-Butylphenoxy)acetamido)benzoate

Mol. Formula:
C20H23NO4

M.W.:
341.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4076058

Name:
Methyl 3-(2-(p-Tolyloxy)acetamido)benzoate

Mol. Formula:
C17H17NO4

M.W.:
299.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4074947

Name:
Methyl 3-(2-Methyl-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanamido)benShow More⌵

Mol. Formula:
C26H35NO4

M.W.:
425.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4074694

Name:
Methyl 4-Hydroxy-3-(3-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanamido)beShow More⌵

Mol. Formula:
C25H33NO5

M.W.:
427.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS