Compounds

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
102.32

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4476076

Name:
N-(4-((2-(cyclopropanecarboxamido)pyridin-4-yl)oxy
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Mol. Formula:
C29H25FN4O4

M.W.:
512.54

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
102.32

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4552106

Name:
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridyl)oxy]-3-fluo
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Mol. Formula:
C26H18F2N4O3

M.W.:
472.45

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
99.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4551490

Name:
N-(4-((2-(cyclopropanecarboxamido)pyridin-4-yl)oxy
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Mol. Formula:
C29H25FN4O4

M.W.:
512.54

17 activity values

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
102.32

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4569395

Name:
Acetic acid (2R,4R,8R,9S,13R)-2-hyroxy-14-(S)-meth
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Mol. Formula:
C22H32O5

M.W.:
376.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
80.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4572309

Name:
1-(4-fluorophenyl)-N-[3-fluoro-4-(4-pyridyloxy)phe
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Mol. Formula:
C23H15F2N3O3

M.W.:
419.39

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4468222

Name:
3-(4-fluorophenyl)-N-[3-fluoro-4-(4-pyridyloxy)phe
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Mol. Formula:
C24H16F2N2O2

M.W.:
402.40

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4470115

Name:
N-[4-[[2-amino-3-[2-(5-amino-2-pyridyl)ethynyl]-4-
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Mol. Formula:
C30H20F2N6O3

M.W.:
550.53

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
138.15

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4542026

Name:
N-[3,5-dimethyl-4-(4-pyridyloxy)phenyl]-1-(4-fluor
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Mol. Formula:
C25H20FN3O3

M.W.:
429.45

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3735260

Name:
2-(benzo[d][1,3]dioxol-4-yl)-6-(4-methylpiperazin-
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Mol. Formula:
C24H23N5O2

M.W.:
413.48

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
55.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3735184

Name:
2-(benzo[d][1,3]dioxol-4-yl)-3-(pyridin-4-yl)-6-(3
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Mol. Formula:
C25H26N6O2

M.W.:
442.52

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
68.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3735309

Name:
2-(benzo[d][1,3]dioxol-4-yl)-3-(pyridin-4-yl)imida
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Mol. Formula:
C18H12N4O2

M.W.:
316.32

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
61.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3734959

Name:
2-(benzo[d][1,3]dioxol-4-yl)-6-(4-methylpiperazin-
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Mol. Formula:
C24H23N5O2

M.W.:
413.48

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
55.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3735077

Name:
2-(benzo[d][1,3]dioxol-4-yl)-6-(4-methylpiperazin-
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Mol. Formula:
C23H22N6O2

M.W.:
414.47

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
68.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3735315

Name:
6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)-(3-(th
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Mol. Formula:
C26H24N6S

M.W.:
452.59

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
49.56

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3735817

Name:
6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)-(3-(th
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Mol. Formula:
C26H24N6S

M.W.:
452.59

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
49.56

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3736408

Name:
2-([1,1'-biphenyl]-3-yl)-6-(4-methylpiperazin-1-yl
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Mol. Formula:
C28H26N6

M.W.:
446.56

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
49.56

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3735025

Name:
2-([1,1'-biphenyl]-4-yl)-6-(4-methylpiperazin-1-yl
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Mol. Formula:
C28H26N6

M.W.:
446.56

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
49.56

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3735563

Name:
2-(6-ethoxynaphth-1-yl)-6-(4-methylpiperazin-1-yl)
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Mol. Formula:
C28H28N6O

M.W.:
464.57

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
58.79

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3736103

Name:
2-(6-methoxynaphth-1-yl)-6-(4-methylpiperazin-1-yl
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Mol. Formula:
C27H26N6O

M.W.:
450.55