Compounds

ALA4218518

Name:
1-(2-chlorophenyl)-4-(3-(methylphenylacetate-4-yl-
Show More⌵

Mol. Formula:
C22H27ClN2O4

M.W.:
418.92

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4217017

Name:
1-(2,4-dimethoxy-5-chlorophenyl)-4-(3-(methylpheny
Show More⌵

Mol. Formula:
C24H31ClN2O6

M.W.:
478.97

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4215889

Name:
1-(2-methoxyphenyl)-4-(3-(methylphenylacetate-4-yl
Show More⌵

Mol. Formula:
C23H30N2O5

M.W.:
414.50

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4215763

Name:
1-(2,3-dimethylphenyl)-4-(3-(methylphenylacetate-4
Show More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4214281

Name:
1-(3-methoxyphenyl)-4-(3-(methylphenylacetate-4-yl
Show More⌵

Mol. Formula:
C23H30N2O5

M.W.:
414.50

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4214101

Name:
1-(3,5-dimethylphenyl)-4-(3-(methylphenylacetate-4
Show More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4212528

Name:
1-(2,5-dimethylphenyl)-4-(3-(methylphenylacetate-4
Show More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4212443

Name:
1-(2,4-dimethylphenyl)-4-(3-(methylphenylacetate-4
Show More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4211330

Name:
1-(3-methylphenyl)-4-(3-(methylphenylacetate-4-yl-
Show More⌵

Mol. Formula:
C23H30N2O4

M.W.:
398.50

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4210817

Name:
1-(4-methylphenyl)-4-(3-(methylphenylacetate-4-yl-
Show More⌵

Mol. Formula:
C23H30N2O4

M.W.:
398.50

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4208060

Name:
1-(3-ethoxyphenyl)-4-(3-(methylphenylacetate-4-yl-
Show More⌵

Mol. Formula:
C24H32N2O5

M.W.:
428.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4206774

Name:
1-(4-methyl-5-chlorophenyl)-4-(3-(methylphenylacet
Show More⌵

Mol. Formula:
C23H29ClN2O4

M.W.:
432.95

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4206435

Name:
1-(2-methylphenyl)-4-(3-(methylphenylacetate-4-yl-
Show More⌵

Mol. Formula:
C23H30N2O4

M.W.:
398.50

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4205279

Name:
1-(4-bromophenyl)-4-(3-(methylphenylacetate-4-yl-o
Show More⌵

Mol. Formula:
C22H27BrN2O4

M.W.:
463.37

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4202605

Name:
1-(4-methoxyphenyl)-4-(3-(methylphenylacetate-4-yl
Show More⌵

Mol. Formula:
C23H30N2O5

M.W.:
414.50

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4202451

Name:
1-(3,4-dimethylphenyl)-4-(3-(methylphenylacetate-4
Show More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS