Compounds

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2287733

Name:
4-butyryl-3-mesityl-1-oxaspiro[4.4]non-3-en-2-one

Mol. Formula:
C21H26O3

M.W.:
326.44

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2287732

Name:
3-mesityl-4-propionyl-1-oxaspiro[4.4]non-3-en-2-on
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Mol. Formula:
C20H24O3

M.W.:
312.41

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287731

Name:
4-but-2-enoyl-3-mesityl-1-oxaspiro[4.4]non-3-en-2-
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Mol. Formula:
C21H24O3

M.W.:
324.42

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2287729

Name:
4-(2,2-dimethylbutanoyl)-3-mesityl-1-oxaspiro[4.4]
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Mol. Formula:
C23H30O3

M.W.:
354.49

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2287722

Name:
3-mesityl-4-(4-methylbenzoyl)-1-oxaspiro[4.4]non-3
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Mol. Formula:
C25H26O3

M.W.:
374.48

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2287719

Name:
4-(4-ethyl-3,5-dimethylphenoxy)-3-mesityl-1-oxaspi
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Mol. Formula:
C27H32O3

M.W.:
404.55

Type:
Small molecule

AlogP:
6.45

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2287718

Name:
4-ethoxy-3-mesityl-1-oxaspiro[4.4]non-3-en-2-one

Mol. Formula:
C19H24O3

M.W.:
300.40

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287717

Name:
3-mesityl-4-methoxy-1-oxaspiro[4.4]non-3-en-2-one

Mol. Formula:
C18H22O3

M.W.:
286.37

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2287240

Name:
(E)-methyl 2-(2-((2-(4-chloro-2-methylphenylamino)
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Mol. Formula:
C24H21ClF3N3O4

M.W.:
507.90

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2287239

Name:
(E)-methyl 2-(2-((2-(3-chloro-2-methylphenylamino)
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Mol. Formula:
C24H21ClF3N3O4

M.W.:
507.90

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2287238

Name:
(E)-methyl 2-(2-((2-(2,4-dichloro-3-methylphenylam
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Mol. Formula:
C24H20Cl2F3N3O4

M.W.:
542.34

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2287237

Name:
(E)-methyl 3-methoxy-2-(2-((2-(2,4,5-trichlorophen
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Mol. Formula:
C23H17Cl3F3N3O4

M.W.:
562.76

Type:
Small molecule

AlogP:
6.94

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2287236

Name:
(E)-methyl 3-methoxy-2-(2-((2-(2,3,4-trichlorophen
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Mol. Formula:
C23H17Cl3F3N3O4

M.W.:
562.76

Type:
Small molecule

AlogP:
6.94

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2287235

Name:
(E)-methyl 2-(2-((2-(3,5-dichlorophenylamino)-6-(t
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Mol. Formula:
C23H18Cl2F3N3O4

M.W.:
528.31

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2287234

Name:
(E)-methyl 2-(2-((2-(3,4-dichlorophenylamino)-6-(t
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Mol. Formula:
C23H18Cl2F3N3O4

M.W.:
528.31

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2287233

Name:
(E)-methyl 2-(2-((2-(2,6-dichlorophenylamino)-6-(t
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Mol. Formula:
C23H18Cl2F3N3O4

M.W.:
528.31

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2287232

Name:
(E)-methyl 2-(2-((2-(2,5-dichlorophenylamino)-6-(t
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Mol. Formula:
C23H18Cl2F3N3O4

M.W.:
528.31

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2287229

Name:
(E)-methyl 2-(2-((2-(3,4-dimethylphenylamino)-6-(t
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Mol. Formula:
C25H24F3N3O4

M.W.:
487.48

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
82.57

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2287228

Name:
(E)-methyl 2-(2-((2-(2,5-dimethylphenylamino)-6-(t
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Mol. Formula:
C25H24F3N3O4

M.W.:
487.48