Compounds

ALA5267785

Name:

Mol. Formula:
C13H14ClN3O4S

M.W.:
343.79

Type:
---

AlogP:
1.02

Polar Surface Area:
119.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5280954

Name:

Mol. Formula:
C19H17ClN2O5S

M.W.:
420.87

Type:
---

AlogP:
3.14

Polar Surface Area:
102.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4649587

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-cyclShow More⌵

Mol. Formula:
C18H17N5O5

M.W.:
383.36

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
143.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4649305

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(3-hShow More⌵

Mol. Formula:
C18H19N5O6

M.W.:
401.38

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
163.60

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4648435

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(1-bShow More⌵

Mol. Formula:
C19H21N5O5

M.W.:
399.41

8 activity values

2 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
143.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4647933

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(3-fShow More⌵

Mol. Formula:
C18H18FN5O5

M.W.:
403.37

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
143.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4647670

Name:
4-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-benzylpyrrShow More⌵

Mol. Formula:
C23H20N4O5

M.W.:
432.44

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
130.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4647545

Name:
2-butyl-5-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]-3-methylimidazoShow More⌵

Mol. Formula:
C22H24ClN3O4

M.W.:
429.90

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4647398

Name:
4-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(2-hydroxyShow More⌵

Mol. Formula:
C18H18N4O6

M.W.:
386.36

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
150.71

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4647392

Name:
2-(3-(5-chloro-6-hydroxynaphthalen-2-yl)propanamido)benzoic acid

Mol. Formula:
C20H16ClNO4

M.W.:
369.80

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4645273

Name:
1-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]pyrrole-2-carboxylic aciShow More⌵

Mol. Formula:
C18H15ClN2O4

M.W.:
358.78

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
91.56

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4643451

Name:
1-butyl-3-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]pyrazole-4-carboShow More⌵

Mol. Formula:
C21H22ClN3O4

M.W.:
415.88

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4643073

Name:
1-butyl-4-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]-5-oxo-2H-pyrrolShow More⌵

Mol. Formula:
C22H23ClN2O5

M.W.:
430.89

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
106.94

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4642367

Name:
5-butyl-3-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]-1H-pyrrole-2-caShow More⌵

Mol. Formula:
C22H23ClN2O4

M.W.:
414.89

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4641756

Name:
1-butyl-4-[3-(5-chloro-6-hydroxy-2-naphthyl)propanoylamino]pyrazole-3-carboShow More⌵

Mol. Formula:
C21H22ClN3O4

M.W.:
415.88

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4640349

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-isopShow More⌵

Mol. Formula:
C18H19N5O5

M.W.:
385.38

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
143.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4639589

Name:
4-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(2-morpholShow More⌵

Mol. Formula:
C22H25N5O6

M.W.:
455.47

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
142.95

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4639053

Name:
4-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-methylpyrrShow More⌵

Mol. Formula:
C17H16N4O5

M.W.:
356.34

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
130.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4638809

Name:
4-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(4-pyridylShow More⌵

Mol. Formula:
C22H19N5O5

M.W.:
433.42

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
143.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4637548

Name:
4-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl}amino-1-(3-mShow More⌵

Mol. Formula:
C19H21N5O6

M.W.:
415.41

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
152.60

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS