Compounds

ALA5209456

Name:
N-(5-fluoro-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)bShow More⌵

Mol. Formula:
C26H18F5N3O3S

M.W.:
547.51

4 activity values

4 unique targets

Type:
---

AlogP:
6.92

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5208733

Name:
8-benzoyl-2-(3-chlorobenzyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C22H23ClN2O2

M.W.:
382.89

2 activity values

1 unique targets

Type:
---

AlogP:
3.99

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5208359

Name:
(S)-N-((S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepShow More⌵

Mol. Formula:
C23H24N6O3

M.W.:
432.48

6 activity values

4 unique targets

Type:
---

AlogP:
1.92

Polar Surface Area:
102.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5203730

Name:
8-benzoyl-2-(2-(trifluoromethyl)benzyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C23H23F3N2O2

M.W.:
416.44

2 activity values

1 unique targets

Type:
---

AlogP:
4.36

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5202906

Name:
2-benzyl-8-(phenylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C21H24N2O3S

M.W.:
384.50

2 activity values

1 unique targets

Type:
---

AlogP:
2.89

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5200311

Name:
2-benzyl-8-nicotinoyl-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C21H23N3O2

M.W.:
349.43

2 activity values

1 unique targets

Type:
---

AlogP:
2.74

Polar Surface Area:
53.51

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5198841

Name:
8-benzoyl-2-(2-fluorobenzyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C22H23FN2O2

M.W.:
366.44

3 activity values

1 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5198366

Name:
8-benzoyl-3-(3-chlorobenzyl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dionShow More⌵

Mol. Formula:
C22H23N3O3

M.W.:
377.44

2 activity values

1 unique targets

Type:
---

AlogP:
2.76

Polar Surface Area:
60.93

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5198153

Name:
1-((3S,3aR)-3-(3-fluoro-4-methoxyphenyl)-8-methoxy-3,3a,4,5-tetrahydro-2H-bShow More⌵

Mol. Formula:
C22H22FNO4

M.W.:
383.42

1 activity values

1 unique targets

Type:
---

AlogP:
3.32

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5197587

Name:
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Mol. Formula:
C21H20ClN3O3

M.W.:
397.86

2 activity values

1 unique targets

Type:
---

AlogP:
3.07

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5197133

Name:
7-benzoyl-2-benzyl-2,7-diazaspiro[3.5]nonan-3-one

Mol. Formula:
C21H22N2O2

M.W.:
334.42

3 activity values

1 unique targets

Type:
---

AlogP:
2.95

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5196637

Name:
8-benzoyl-2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C22H30N2O2

M.W.:
354.49

2 activity values

1 unique targets

Type:
---

AlogP:
3.72

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5193424

Name:
2-benzyl-8-(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C19H22N4O

M.W.:
322.41

2 activity values

1 unique targets

Type:
---

AlogP:
2.50

Polar Surface Area:
49.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5193327

Name:
8-benzoyl-2-(3,5-difluorobenzyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C22H22F2N2O2

M.W.:
384.43

2 activity values

1 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5192704

Name:
2-benzyl-8-(1H-indole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C24H25N3O2

M.W.:
387.48

2 activity values

1 unique targets

Type:
---

AlogP:
3.82

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5192466

Name:
8-benzoyl-2-benzyl-2,3,8-triazaspiro[4.5]decan-1-one

Mol. Formula:
C21H23N3O2

M.W.:
349.43

2 activity values

1 unique targets

Type:
---

AlogP:
2.46

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5191964

Name:
N-(6-(3-(2-(3-bromophenyl)acetamido)-4-fluorophenoxy)benzo[d]thiazol-2-yl)cShow More⌵

Mol. Formula:
C25H19BrFN3O3S

M.W.:
540.41

3 activity values

3 unique targets

Type:
---

AlogP:
6.52

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5191913

Name:
2-benzyl-8-isopropyl-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C18H26N2O

M.W.:
286.42

2 activity values

1 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA5190806

Name:
2-benzyl-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C24H25N3O2

M.W.:
387.48

2 activity values

1 unique targets

Type:
---

AlogP:
3.82

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5190562

Name:
8-benzoyl-2-(3-fluorobenzyl)-2,8-diazaspiro[4.5]decan-1-one

Mol. Formula:
C22H23FN2O2

M.W.:
366.44

2 activity values

1 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS