Compounds

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
84.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4569654

Name:
4-[(Benzyloxy)methyl]-2-(4-chlorophenyl)-6-methylq
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Mol. Formula:
C24H20ClNO

M.W.:
373.88

3 activity values

Type:
Unknown

AlogP:
6.58

Polar Surface Area:
22.12

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4745158

Name:
5-cyclopropyl-1,1-dimethylfuro[3,4-c]pyridine-3,4(
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Mol. Formula:
C12H13NO3

M.W.:
219.24

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4743387

Name:
N-cyano-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-me
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Mol. Formula:
C24H15F2N3O

M.W.:
399.40

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
65.78

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4743372

Name:
6-(4'-((3,3-difluoropiperidin-1-yl)methyl)-2,3,5,6
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Mol. Formula:
C27H21F6N3O2

M.W.:
533.47

Type:
Unknown

AlogP:
6.69

Polar Surface Area:
69.22

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4743368

Name:
5'-isopropyl-3'H-spiro[cyclohexane-1,1'-furo[3,4-c
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Mol. Formula:
C15H19NO3

M.W.:
261.32

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4741980

Name:
5'-cyclobutyl-3'H-spiro[cyclohexane-1,1'-furo[3,4-
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Mol. Formula:
C16H19NO3

M.W.:
273.33

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4763950

Name:
3-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-
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Mol. Formula:
C24H15F2N3O2

M.W.:
415.40

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
71.78

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4762268

Name:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-N-m
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Mol. Formula:
C24H18F2N2O3S

M.W.:
452.48

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
76.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4761259

Name:
2-methyl-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-y
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Mol. Formula:
C26H25N3O2

M.W.:
411.51

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
69.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4760820

Name:
6-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-2-methyl
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Mol. Formula:
C21H19N3O2

M.W.:
345.40

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
70.91

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4760819

Name:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui
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Mol. Formula:
C23H16F2N2O

M.W.:
374.39

4 activity values

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
55.98

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4759615

Name:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui
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Mol. Formula:
C23H16F2N2O2

M.W.:
390.39

4 activity values

Type:
Unknown

AlogP:
5.27

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4759152

Name:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-N,
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Mol. Formula:
C24H18F2N2O2

M.W.:
404.42

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4758872

Name:
methyl N-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-
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Mol. Formula:
C25H18F2N2O3

M.W.:
432.43

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4757605

Name:
6-(biphenyl-4-yl)-2-methyl-1H-benzo[d]imidazole-4-
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Mol. Formula:
C21H16N2O2

M.W.:
328.37

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4755999

Name:
N-cyclopropyl-4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-
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Mol. Formula:
C14H19NO3

M.W.:
249.31

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA4580266

Name:
3-(2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphen
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Cas Number:
717142-73-9

Mol. Formula:
C19H8F7NO4S

M.W.:
479.33

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4579382

Name:
Benzyl 6,7-dichloro-2-(4-methoxyphenyl)quinoline-4
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Mol. Formula:
C24H17Cl2NO3

M.W.:
438.31

3 activity values

Type:
Unknown

AlogP:
6.57

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4777624

Name:
5-cyclopropyl-1-ethyl-1-methylfuro[3,4-c]pyridine-
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Mol. Formula:
C13H15NO3

M.W.:
233.27