Compounds

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3623842

Name:
3-(2-Phenanthrenyl)octahydro-1,4-pyrido[2,1-c]oxaz
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Mol. Formula:
C22H24BrNO2

M.W.:
414.34

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3623841

Name:
2-(2-Phenanthrenyl)-4-methylmorpholin-2-ol hydrobr
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Mol. Formula:
C19H20BrNO2

M.W.:
374.28

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3623679

Name:
2-(4-Cyclohexyl-phenyl)-4-methyl-octahydro-1,4-ben
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Mol. Formula:
C21H32BrNO2

M.W.:
410.40

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3623678

Name:
3-(4-Cyclohexylphenyl)octahydro-1,4-pyrido[2,1-c]o
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Mol. Formula:
C20H30BrNO2

M.W.:
396.37

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3623677

Name:
2-(4-Cyclohexylphenyl)-4-methylmorpholin-2-ol hydr
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Mol. Formula:
C17H26BrNO2

M.W.:
356.30

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA3349973

Name:
17-(1-Hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14
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Mol. Formula:
C30H52O4

M.W.:
476.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2332556

Name:
2-(3',5'-Di-tert-butyl-4'hydroxy-4-biphenyl)-4-met
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Mol. Formula:
C29H42BrNO3

M.W.:
532.56

27 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2332555

Name:
3-(3',5'-Di-tert-butyl-4'-hydroxy-4-biphenyl)octah
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Mol. Formula:
C28H40BrNO3

M.W.:
518.54

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2057964

Name:
2-[(2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)
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Mol. Formula:
C28H30ClN5O6

M.W.:
568.03

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
122.75

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2057963

Name:
1-(2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-
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Mol. Formula:
C27H26ClN5O5

M.W.:
535.99

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2057962

Name:
2-(2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl-4
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Mol. Formula:
C27H28ClN5O5

M.W.:
538.00

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2057961

Name:
3-(2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-
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Mol. Formula:
C26H26ClN5O5

M.W.:
523.98

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2057960

Name:
2-(1-(2-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-
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Mol. Formula:
C25H24ClN5O5

M.W.:
509.95

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2057959

Name:
2-(2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl-4
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Mol. Formula:
C25H24ClN5O5

M.W.:
509.95

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2057958

Name:
2-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-4H,
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Mol. Formula:
C24H22ClN5O5

M.W.:
495.92

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
113.52

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2057957

Name:
2-(1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-
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Mol. Formula:
C27H26ClN3O5

M.W.:
507.97

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
87.74

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2057956

Name:
1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-4H,
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Mol. Formula:
C26H24ClN3O5

M.W.:
493.95

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
87.74

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2057955

Name:
2-(1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-
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Mol. Formula:
C27H26ClN3O5

M.W.:
507.97