Compounds

ALA5094841

Name:
6-(2-Fluorophenyl)-3-(((1R,5S)-8-hydroxy-3-((R)-3-phenylbutanoyl)-3-azabicyShow More⌵

Mol. Formula:
C28H30FN3O3

M.W.:
475.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
75.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5094837

Name:
1-(((S)-1-((S)-3-Cyclohexyl-2-(methoxymethyl)propanoyl)-4-hydroxy-3,3-dimetShow More⌵

Mol. Formula:
C33H47N3O5

M.W.:
565.76

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
92.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5094834

Name:
1-(((S)-7-((R)-3-Cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]deShow More⌵

Mol. Formula:
C36H49N3O5

M.W.:
603.80

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
92.08

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5094791

Name:
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]Show More⌵

Mol. Formula:
C32H39N5O4

M.W.:
557.70

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
99.93

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5094785

Name:
1-[[10-hydroxy-7-(5-phenyloxazole-4-carbonyl)-7-azaspiro[4.5]decan-10-yl]meShow More⌵

Mol. Formula:
C34H36N4O5

M.W.:
580.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
108.88

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5094722

Name:
5-((Dimethyl(oxo)-lambda6-sulfaneylidene)amino)-1-((10-hydroxy-7-((R)-2-pheShow More⌵

Mol. Formula:
C34H42N4O5S

M.W.:
618.80

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
104.44

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5094719

Name:
1-((10-Hydroxy-7-((R)-4.4.4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decaShow More⌵

Mol. Formula:
C19H26F3N3O3

M.W.:
401.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
75.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5094708

Name:
N-(3-furylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenyl-pyrimidin-1-yl)meShow More⌵

Mol. Formula:
C27H32N4O4

M.W.:
476.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
91.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5094703

Name:
(R)-1-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-N-isopropyl-N-Show More⌵

Mol. Formula:
C32H39N3O4

M.W.:
529.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
82.85

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5094701

Name:
1-((1-((R)-3-Cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-Show More⌵

Mol. Formula:
C34H47N3O5

M.W.:
577.77

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
92.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5094696

Name:
4-(4,4-Dimethylcyclohexyl)-1-((10-hydroxy-7-((R)-4,4,4-trifluoro-2-methylbuShow More⌵

Mol. Formula:
C27H44F3N3O3

M.W.:
515.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
64.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5094692

Name:
N-Benzyl-10-((5-(dimethylcarbamoyl)-2-oxo-4-phenylpyridin-1(2H)-yl)methyl)-Show More⌵

Mol. Formula:
C33H40N4O4

M.W.:
556.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5094551

Name:
10-hydroxy-N-[(1-methylcyclopropyl)methyl]-10-[(6-oxo-4-phenyl-pyrimidin-1-Show More⌵

Mol. Formula:
C26H34N4O3

M.W.:
450.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
87.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5094529

Name:
(S)-N-(2,4-Difluorobenzyl)-10-hydroxy-10-((6-oxo-4-phenylpyrimidin-1(6H)-ylShow More⌵

Mol. Formula:
C28H30F2N4O3

M.W.:
508.57

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
87.46

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5094516

Name:
6-(1,3-dihydroisobenzofuran-5-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpipeShow More⌵

Mol. Formula:
C33H39N5O4

M.W.:
569.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
99.93

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5094508

Name:
(R)-6-(4-Fluorophenoxy)-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)meShow More⌵

Mol. Formula:
C26H28FN3O4

M.W.:
465.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
84.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5094484

Name:
3-[[7-(2-cyclopropylpiperazine-1-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-Show More⌵

Mol. Formula:
C28H37N5O3

M.W.:
491.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
90.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5094417

Name:
(S)-N-(Cyclopropylmethyl)-10-hydroxy-N-methyl-10-((6-oxo-4-phenylpyrimidin-Show More⌵

Mol. Formula:
C26H34N4O3

M.W.:
450.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
78.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5094389

Name:
1-Cyclopropyl-5-((10-hydroxy-7-((R)-2-phenylpiperazine-1-carbonyl)-7-azaspiShow More⌵

Mol. Formula:
C29H37N7O3

M.W.:
531.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
108.52

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5094385

Name:
3-(((1R,5S)-3-((R)-3-Cyclohexyl-2-methylpropanoyl)-8-hydroxy-3-azabicyclo[3Show More⌵

Mol. Formula:
C28H30FN3O3

M.W.:
475.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
75.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS