Compounds

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2347845

Name:
5-Chloro-2-(2-naphthalen-2-yloxy)-phenol

Mol. Formula:
C16H11ClO2

M.W.:
270.72

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2347844

Name:
5-Chloro-2-[4-(4-methylpiperazin-1-yl)phenoxy]phen
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Mol. Formula:
C17H19ClN2O2

M.W.:
318.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2347843

Name:
5-Chloro-2-[(4-morpholin-4-yl)phenoxy]phenol

Mol. Formula:
C16H16ClNO3

M.W.:
305.76

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2347841

Name:
5-Chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phen
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Mol. Formula:
C18H21ClN2O2

M.W.:
332.83

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2347840

Name:
5-Chloro-2-[4-(pyrrolidine-1-sulfonyl)phenoxy]phen
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Mol. Formula:
C16H16ClNO4S

M.W.:
353.83

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2347839

Name:
N-(4-Chloro-2-hydroxyphenyl)-1-methyl-3-(trifluoro
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Mol. Formula:
C12H9ClF3N3O2

M.W.:
319.67

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
67.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2347838

Name:
5-Chloro-2-[4-(piperidine-1-sulfonyl)phenoxy]pheno
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Mol. Formula:
C17H18ClNO4S

M.W.:
367.85

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2347837

Name:
5-(4-Chloro-2-hydroxyphenoxy)furan-2-carboxylic ac
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Mol. Formula:
C11H7ClO5

M.W.:
254.62

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
79.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2347836

Name:
5-(4-Chloro-2-hydroxyphenoxy)-N-methylfuran-2-carb
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Mol. Formula:
C12H10ClNO4

M.W.:
267.67

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
71.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2347835

Name:
5-(4-Chloro-2-hydroxyphenoxy)-N-(5-methylisoxazol-
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Mol. Formula:
C15H11ClN2O5

M.W.:
334.72

23 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
97.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2347834

Name:
1-[5-(4-Acetylpiperazine-1-carbonyl)furan-2-yloxy]
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Mol. Formula:
C17H17ClN2O5

M.W.:
364.79

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
83.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2347833

Name:
5-(4-Chloro-2-hydroxyphenoxy)-N-ethylthiophene-2-c
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Mol. Formula:
C13H12ClNO3S

M.W.:
297.76

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
58.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2347832

Name:
5-(4-Chloro-2-hydroxyphenoxy)thiophene-2-carboxyli
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Mol. Formula:
C11H7ClO4S

M.W.:
270.69

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2347831

Name:
tert-Butyl 4-[5-(4-Chloro-2-hydroxyphenoxy)thiophe
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Mol. Formula:
C20H23ClN2O5S

M.W.:
438.93

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
79.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2347830

Name:
1-[4-[[5-(4-Chloro-2-hydroxyphenoxy)thiophen-2-yl]
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Mol. Formula:
C17H19ClN2O3S

M.W.:
366.87

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
53.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2347829

Name:
5-Chloro-2-[5-(piperazine-1-carbonyl)thiophen-2-yl
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Mol. Formula:
C15H15ClN2O3S

M.W.:
338.82

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
61.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2347828

Name:
5-Chloro-2-(quinolin-6-yloxy)-phenol

Mol. Formula:
C15H10ClNO2

M.W.:
271.70