Compounds

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
54.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4538480

Name:
2-hydroxy-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfony
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Mol. Formula:
C18H12N2O6S

M.W.:
384.37

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
132.80

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4537545

Name:
5-((5-(2-chlorophenyl)furan-2-yl)methylene)-2-imin
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Mol. Formula:
C14H9ClN2O2S

M.W.:
304.76

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
66.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4536515

Name:
5-((5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl)methy
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Mol. Formula:
C16H13N3O4S

M.W.:
343.36

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
109.23

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4525557

Name:
5-((2-(1H-indol-3-yl)ethylamino)methylene)-1-(4-br
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Mol. Formula:
C21H17BrN4O3

M.W.:
453.30

2 activity values

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
94.30

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4524944

Name:
N-[[5-(3-chloro-2-methylphenyl)-2-furyl]methyl]-1H
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Mol. Formula:
C14H13ClN4O

M.W.:
288.74

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
66.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4519757

Name:
5-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen
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Mol. Formula:
C15H11ClN2O2S

M.W.:
318.79

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
54.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4535815

Name:
5-((5-(2-chloro-5-nitrophenyl)furan-2-yl)methylene
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Mol. Formula:
C14H8ClN3O4S

M.W.:
349.76

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
97.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4535203

Name:
5-((5-(4-chlorophenyl)furan-2-yl)methylene)-3-prop
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Mol. Formula:
C17H15ClN2O2S

M.W.:
346.84

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4532859

Name:
3-(4-((5-(1,3-dioxoisoindolin-5-yl)furan-2-yl)meth
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Mol. Formula:
C24H15N3O6

M.W.:
441.40

2 activity values

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
129.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4561377

Name:
2-imino-5-((5-(4-methyl-2-nitrophenyl)furan-2-yl)m
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Mol. Formula:
C15H11N3O4S

M.W.:
329.34

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
109.23

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4558089

Name:
5-((5-(3-chlorophenyl)furan-2-yl)methylene)-2-imin
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Mol. Formula:
C14H9ClN2O2S

M.W.:
304.76

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
66.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4555724

Name:
5-((5-(2,4-dichlorophenyl)furan-2-yl)methylene)-3-
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Mol. Formula:
C16H12Cl2N2O2S

M.W.:
367.26

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4553913

Name:
1-[3-[4-[3-(5-cyano-2,4-dioxo-pyrimidin-1-yl)propy
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Mol. Formula:
C20H24N8O4

M.W.:
440.46

Type:
Unknown

AlogP:
-1.77

Polar Surface Area:
163.78

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4568389

Name:
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-pentylsul
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Cas Number:
331675-51-5

Mol. Formula:
C20H26N4O4S

M.W.:
418.52

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
102.14

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4568120

Name:
allyl 2-chloro-5-(5-((5-oxo-2-thioxoimidazolidin-4
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Mol. Formula:
C18H13ClN2O4S

M.W.:
388.83

441 activity values

348 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
80.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4566633

Name:
5-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-thiox
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Mol. Formula:
C14H9N3O4S

M.W.:
315.31

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
97.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4527194

Name:
3-methyl-7-(3-phenylpropyl)-8-piperazin-1-yl-4,5-d
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Mol. Formula:
C19H26N6O2

M.W.:
370.46

Type:
Unknown

AlogP:
0.07

Polar Surface Area:
80.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4526685

Name:
3-(5-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl
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Mol. Formula:
C15H10N2O4S

M.W.:
314.32

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
91.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4518624

Name:
2-(6-amino-9-benzyl-purin-8-yl)sulfanylacetamide

Mol. Formula:
C14H14N6OS

M.W.:
314.37