Compounds

ALA4533590

Name:
5-Cyclopropyl-N-[4-(diethylamino)phenyl]isoxazole-
Show More⌵

Mol. Formula:
C17H21N3O2

M.W.:
299.37

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4522513

Name:
4-[(5-Methyl-3-phenylisoxazol-4-yl)methoxy]benzoic
Show More⌵

Mol. Formula:
C18H15NO4

M.W.:
309.32

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
72.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4593896

Name:
N-[4-(Diethylamino)phenyl]-1-phenethyl-4-phenyl-1H
Show More⌵

Mol. Formula:
C27H29N5O

M.W.:
439.56

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4593791

Name:
2-Cyanoethyl 4-(5-methyl-3-phenylisoxazole-4-carbo
Show More⌵

Mol. Formula:
C21H17N3O4

M.W.:
375.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
105.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4564721

Name:
N-[4-(Diethylamino)phenyl]thieno[2,3-d][1,2,3]thia
Show More⌵

Mol. Formula:
C15H16N4OS2

M.W.:
332.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
58.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4472534

Name:
(E)-N1-[[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl
Show More⌵

Mol. Formula:
C18H17FN4

M.W.:
308.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
44.28

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4466005

Name:
3',5-Dimethyl-N-(4-oxo-2-phenyl-4H-chromen-6-yl)-[
Show More⌵

Mol. Formula:
C24H17N3O5

M.W.:
427.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
111.37

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4454537

Name:
N,N-Diethyl-4-(5-methyl-3-phenylisoxazole-4-carbox
Show More⌵

Mol. Formula:
C24H26BrN3O2

M.W.:
468.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
55.13

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4449660

Name:
5-[4-(Diethylamino)phenyl]-3-methylisoxazolo[4,3-c
Show More⌵

Mol. Formula:
C21H21N3O2

M.W.:
347.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
51.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS