Compounds

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
72.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4518571

Name:
Endolide B

Mol. Formula:
C28H34N4O7

M.W.:
538.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
138.24

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4743625

Name:
5-hydroxy-2-[3-[4-(trifluoromethyl)phenyl]propyl]c
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Mol. Formula:
C19H15F3O3

M.W.:
348.32

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4741776

Name:
5-hydroxy-2-[3-(p-tolyl)propyl]chromen-4-one

Mol. Formula:
C19H18O3

M.W.:
294.35

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4765074

Name:
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1
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Mol. Formula:
C14H21N3

M.W.:
231.34

9 activity values

4 unique targets

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA4763861

Name:
5-hydroxy-2-[3-(m-tolyl)propyl]chromen-4-one

Mol. Formula:
C19H18O3

M.W.:
294.35

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4581568

Name:
2-((5-Chlorothiophen-2-yl)ethynyl)-N-(3,4-dihydrox
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Mol. Formula:
C19H14ClN5O2S

M.W.:
411.87

5 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
106.95

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4780527

Name:
5-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]c
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Mol. Formula:
C19H15F3O3

M.W.:
348.32

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4778570

Name:
(R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1
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Mol. Formula:
C18H21N3

M.W.:
279.39

6 activity values

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA4777852

Name:
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino
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Mol. Formula:
C15H23N3

M.W.:
245.37

9 activity values

4 unique targets

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA4783824

Name:
2-[3-(3-fluorophenyl)propyl]-5-hydroxy-chromen-4-o
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Mol. Formula:
C18H15FO3

M.W.:
298.31

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4796102

Name:
5-hydroxy-2-(3-(3-cyanophenyl)propyl)chromone

Mol. Formula:
C19H15NO3

M.W.:
305.33

7 activity values

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
74.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4795598

Name:
5-hydroxy-2-[3-(4-methoxyphenyl)propyl]chromen-4-o
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Mol. Formula:
C19H18O4

M.W.:
310.35

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4790230

Name:
2-[3-(3-chlorophenyl)propyl]-5-hydroxy-chromen-4-o
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Mol. Formula:
C18H15ClO3

M.W.:
314.77

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4098721

Name:
(+)-1-[(1S,2S)-2-[2-(Allyloxy)-5-fluorophenyl]cycl
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Mol. Formula:
C14H19ClFNO

M.W.:
271.76

7 activity values

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4094802

Name:
7-bromo-2-[2-(trideuteriomethoxy)phenyl]-5H-pyrazo
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Mol. Formula:
C17H12BrN3O2

M.W.:
373.22

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
59.91

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4101194

Name:
(-)-1-[(1R,2R)-2-(5-Fluoro-2-methoxyphenyl)cyclopr
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Mol. Formula:
C19H23ClFNO2

M.W.:
351.85

12 activity values

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4094054

Name:
2-[[[[2-(5-Fluoro-2-methoxyphenyl)cyclopropyl]meth
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Mol. Formula:
C19H22ClFN2O2

M.W.:
364.85

9 activity values

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4091672

Name:
(+)-1-[(1S,2S)-2-[5-Fluoro-2-(2-fluoroethoxy)pheny
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Mol. Formula:
C20H24ClF2NO2

M.W.:
383.87

14 activity values