Compounds

ALA4878978

Name:
(5R,9R)-5-((3,5-bis(trifluoromethyl)phenyl)amino)-
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Mol. Formula:
C23H20F6N2O

M.W.:
454.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.19

Polar Surface Area:
44.89

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4878019

Name:
5-bromo-N-tert-butyl-2-oxo-3-(2-oxoazetidin-1-yl)i
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Mol. Formula:
C16H18BrN3O3

M.W.:
380.24

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.74

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4875252

Name:
(5R,9R)-11-ethylidene-5-((6-methoxynaphthalen-2-yl
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Mol. Formula:
C26H26N2O2

M.W.:
398.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
54.12

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4874385

Name:
N-benzyl-2-oxo-3-(2-oxoazetidin-1-yl)-1-(prop-2-yn
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Mol. Formula:
C22H19N3O3

M.W.:
373.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4874271

Name:
N-tert-butyl-2-oxo-3-(2-oxopyrrolidin-1-yl)indolin
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Mol. Formula:
C17H21N3O3

M.W.:
315.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4874143

Name:
N-tert-butyl-5,7-dimethyl-2-oxo-3-(2-oxopyrrolidin
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Mol. Formula:
C19H25N3O3

M.W.:
343.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4873701

Name:
(5R,9R)-5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)am
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Mol. Formula:
C23H24N2O3

M.W.:
376.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
63.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4872810

Name:
(5R,9R)-11-ethylidene-5-((4-methoxyphenyl)amino)-7
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Mol. Formula:
C22H24N2O2

M.W.:
348.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
54.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4872071

Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl pi
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Mol. Formula:
C21H21NO6

M.W.:
383.40

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
96.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4870225

Name:
N-tert-butyl-2-oxo-3-(2-oxopyrrolidin-1-yl)-1-phen
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Mol. Formula:
C23H25N3O3

M.W.:
391.47

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4869063

Name:
N-tert-butyl-5-iodo-2-oxo-3-(2-oxoazetidin-1-yl)in
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Mol. Formula:
C16H18IN3O3

M.W.:
427.24

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5287059

Name:
(2R,3R,4S,5S,6R)-2-(2-(3-benzyl-2,3-dihydro-1H-ben
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Mol. Formula:
C22H28N2O6

M.W.:
416.47

Type:
---

AlogP:
0.29

Polar Surface Area:
105.86

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5287005

Name:
(2R,3R,4S,5R,6R)-2-(2-(3-benzyl-2,3-dihydro-1H-ben
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Mol. Formula:
C22H28N2O6

M.W.:
416.47

Type:
---

AlogP:
0.29

Polar Surface Area:
105.86

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5284112

Name:
5-methyl-2-phenyl-6-(2-(p-tolyl)hydrazineylidene)p
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Mol. Formula:
C20H17N5O

M.W.:
343.39

Type:
---

AlogP:
4.07

Polar Surface Area:
71.64

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282473

Name:
(2R,3R,4S,5S,6R)-2-(2-(1H-benzo[d]imidazol-1-yl)et
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Mol. Formula:
C15H20N2O6

M.W.:
324.33

Type:
---

AlogP:
-1.15

Polar Surface Area:
117.20

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5279918

Name:
4-[(E)-[4-[3-(dimethylamino)propoxy]phenyl]methyle
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Mol. Formula:
C23H28N4O2

M.W.:
392.50

Type:
---

AlogP:
3.57

Polar Surface Area:
51.76

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5278016

Name:
(2R,3R,4R,5S)-1-(6-(3,4-dihydroxyphenethoxy)hexyl)
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Mol. Formula:
C20H33NO7

M.W.:
399.48

Type:
---

AlogP:
-0.02

Polar Surface Area:
133.85

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4867752

Name:
(5R,9R)-11-ethylidene-7-methyl-5-(naphthalen-1-yla
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Mol. Formula:
C25H24N2O

M.W.:
368.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
44.89

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4866597

Name:
(5R,9R)-11-ethylidene-7-methyl-5-((6-methylpyridin
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Mol. Formula:
C21H23N3O

M.W.:
333.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4865358

Name:
(5R,9R)-5-((3,5-dimethylphenyl)amino)-11-ethyliden
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Mol. Formula:
C23H26N2O

M.W.:
346.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
44.89

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS