Compounds

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
39.07

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4513395

Name:
6-(Cyclohexanecarbonyl)-3-pentylbenzo[d]oxazol-2(3
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Mol. Formula:
C19H25NO3

M.W.:
315.41

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4476681

Name:
Methyl 2-[((adamantan-1-yl)carbonyl)amino]-5-ethyl
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Mol. Formula:
C20H27NO3S

M.W.:
361.51

7 activity values

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4475913

Name:
N-[5-Chloro-1,2-dihydro-1-(4'-fluorobenzyl)-4-meth
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Mol. Formula:
C21H24ClFN2O2

M.W.:
390.89

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4474733

Name:
N-Cyclopentyl-2-(5-methoxy-2-methyl-3-(2-morpholin
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Mol. Formula:
C23H33N3O3

M.W.:
399.54

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
55.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4539849

Name:
6-(1-Adamantyl-1-hydroxyiminomethyl)-3-pentylbenzo
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Mol. Formula:
C23H30N2O2S

M.W.:
398.57

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
54.59

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4525668

Name:
N-[1,2-Dihydro-1-(4'-fluorobenzyl)-5-phenyl-6-meth
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Mol. Formula:
C27H29FN2O2

M.W.:
432.54

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4533589

Name:
2-(5-Bromo-2-methyl-3-(2-morpholinoethyl)-1H-indol
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Mol. Formula:
C22H30BrN3O2

M.W.:
448.41

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
46.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4533329

Name:
6-(1-Adamantylhydroxylmethyl)-3-pentylbenzo[d]thia
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Mol. Formula:
C23H31NO2S

M.W.:
385.57

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
42.23

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4531834

Name:
N-(5-Bromo-1,2-dihydro-1-(4-fluorobenzyl)-4-hydrox
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Mol. Formula:
C20H22BrFN2O3

M.W.:
437.31

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4559685

Name:
N-[5-Chloro-1,2-dihydro-1-(4'-fluorobenzyl)-6-meth
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Mol. Formula:
C21H24ClFN2O2

M.W.:
390.89

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4558692

Name:
N-[1,2-Dihydro-1-(4'-fluorobenzyl)-5-(4'-methoxyph
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Mol. Formula:
C28H31FN2O3

M.W.:
462.57

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
60.33

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4558578

Name:
2-(5-Chloro-2-methyl-3-(2-morpholinoethyl)-1H-indo
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Mol. Formula:
C20H26ClN3O2

M.W.:
375.90

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
46.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4557732

Name:
Methyl 2-[((adamantan-1-yl)carbonyl)amino]-5-pheny
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Mol. Formula:
C23H25NO3S

M.W.:
395.52

5 activity values

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4557721

Name:
N-[1,2-Dihydro-1-(4'-fluorobenzyl)-4-methyl-2-oxop
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Mol. Formula:
C21H25FN2O2

M.W.:
356.44

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4553856

Name:
N-[1,2-Dihydro-1-(4'-fluorobenzyl)-4-methyl-2-oxo-
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Mol. Formula:
C27H29FN2O2

M.W.:
432.54

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4553081

Name:
2-(5-Chloro-2-methyl-3-(2-morpholinoethyl)-1H-indo
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Mol. Formula:
C21H28ClN3O2

M.W.:
389.93

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
46.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4571345

Name:
6-(1-Adamantylmethoxylmethyl)-3-pentylbenzo[d]thia
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Mol. Formula:
C24H33NO2S

M.W.:
399.60

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
31.23

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4571258

Name:
N-Cyclohexyl-2-(5-methoxy-2-methyl-3-(2-morpholino
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Mol. Formula:
C24H35N3O3

M.W.:
413.56

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
55.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4569920

Name:
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(5-methoxy-2-
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Mol. Formula:
C26H31N3O5

M.W.:
465.55