Compounds

ALA5271173

Name:
2-(4-(benzyloxy)phenyl)-N-hydroxy-3-oxoisoindoline-4-carboxamide

Mol. Formula:
C22H18N2O4

M.W.:
374.40

Type:
---

AlogP:
3.55

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5280915

Name:
N-((2R,3R,4R,5S,6R)-2-(3-(4-((N-(sec-butyl)-[1,1'-biphenyl]-4-sulfonamido)mShow More⌵

Mol. Formula:
C30H41N5O8S

M.W.:
631.75

Type:
---

AlogP:
1.28

Polar Surface Area:
176.34

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5283310

Name:
(2R)-2-[[1-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)Show More⌵

Mol. Formula:
C31H41N5O10S

M.W.:
675.76

Type:
---

AlogP:
0.60

Polar Surface Area:
213.64

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4878680

Name:
5-(3-(4-(2-methoxyphenyl)piperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dionShow More⌵

Mol. Formula:
C17H22N4O4

M.W.:
346.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.33

Polar Surface Area:
90.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4878543

Name:
5-(3-(4-(3-chlorophenyl)piperazin-1-yl)-3-oxopropyl)-5-methylimidazolidine-Show More⌵

Mol. Formula:
C17H21ClN4O3

M.W.:
364.83

5 activity values

3 unique targets

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4877662

Name:
rac-5-(2-(4-(3,5-dichlorophenyl)piperazine-1-carbonyl)-3-methylbutyl)-5-metShow More⌵

Mol. Formula:
C20H26Cl2N4O3

M.W.:
441.36

6 activity values

6 unique targets

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4877395

Name:
5-(3-(4-(2-chlorophenyl)piperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dione

Mol. Formula:
C16H19ClN4O3

M.W.:
350.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4877210

Name:
5-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-5-phenylimidazolidine-2,4-diShow More⌵

Mol. Formula:
C22H25ClN4O2

M.W.:
412.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
64.68

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4877087

Name:
5-(3-(4-(3-chlorophenyl)piperazin-1-yl)-3-oxopropyl)-5-cyclopropylimidazoliShow More⌵

Mol. Formula:
C19H23ClN4O3

M.W.:
390.87

11 activity values

7 unique targets

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4876898

Name:
5-(3-(4-(4-chlorophenyl)piperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dione

Mol. Formula:
C16H19ClN4O3

M.W.:
350.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4876864

Name:
rac-5-(3-(4-(3,5-dichlorophenyl)piperazin-1-yl)-3-oxopropyl)-5-methylimidazShow More⌵

Mol. Formula:
C17H20Cl2N4O3

M.W.:
399.28

6 activity values

6 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4876618

Name:
5-(3-((S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl)-3-oxopropyl)-Show More⌵

Mol. Formula:
C22H23ClFN5O3

M.W.:
459.91

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4875821

Name:
5-cyclopropyl-5-(3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl)imidazolidShow More⌵

Mol. Formula:
C21H27N3O3

M.W.:
369.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4875400

Name:
5-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-5-methylimidazolidine-2Show More⌵

Mol. Formula:
C16H19N3O3

M.W.:
301.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4874226

Name:
5-(3-(4-(3,5-dichlorophenyl)piperazin-1-yl)-3-oxopropyl)-5-(pyridin-2-yl)imShow More⌵

Mol. Formula:
C21H21Cl2N5O3

M.W.:
462.34

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4874034

Name:
(S)-5-cyclopropyl-5-((S)-3-((S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-Show More⌵

Mol. Formula:
C21H26F2N4O3

M.W.:
420.46

20 activity values

11 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4873384

Name:
(R)-5-(3-(4-(3,5-dichlorophenyl)piperazin-1-yl)-3-oxopropyl)imidazolidine-2Show More⌵

Mol. Formula:
C16H18Cl2N4O3

M.W.:
385.25

18 activity values

18 unique targets

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4872817

Name:
5-(3-(4-(3-chlorophenyl)piperazin-1-yl)-3-oxopropyl)-5-(pyridin-3-yl)imidazShow More⌵

Mol. Formula:
C21H22ClN5O3

M.W.:
427.89

3 activity values

2 unique targets

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
94.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4872734

Name:
5-(3-(4-(3-chlorophenyl)piperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dione

Mol. Formula:
C16H19ClN4O3

M.W.:
350.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4872381

Name:
5-cyclopropyl-5-[3-[4-(3,5-dichlorophenyl)-1-piperidyl]-3-oxo-propyl]imidazShow More⌵

Mol. Formula:
C20H23Cl2N3O3

M.W.:
424.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS