Compounds

ALA5284505

Name:
6-(4-(2-hydroxypropan-2-yl)phenyl)-2-methylpyrazol
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Mol. Formula:
C16H17N3O2

M.W.:
283.33

Type:
---

AlogP:
2.23

Polar Surface Area:
70.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5284314

Name:
6,7-difluoro-3-(4-(2-hydroxypropan-2-yl)phenyl)pyr
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Mol. Formula:
C16H14F2N2O2

M.W.:
304.30

Type:
---

AlogP:
2.80

Polar Surface Area:
57.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5284305

Name:
2-(4-(2-hydroxypropan-2-yl)phenyl)-6-methylpyrazol
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Mol. Formula:
C15H16N4O2

M.W.:
284.32

Type:
---

AlogP:
1.62

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5281885

Name:
6-(hydroxymethyl)-3-(4-(2-hydroxypropan-2-yl)pheny
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Mol. Formula:
C17H18N2O3

M.W.:
298.34

Type:
---

AlogP:
2.01

Polar Surface Area:
77.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5281076

Name:
3-(4-(2-(2-hydroxyethoxy)propan-2-yl)phenyl)-6-met
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Mol. Formula:
C19H22N2O3

M.W.:
326.40

Type:
---

AlogP:
2.85

Polar Surface Area:
66.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5280682

Name:
(S)-3-(4-(2,4-dihydroxybutan-2-yl)phenyl)-6-methyl
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Mol. Formula:
C18H20N2O3

M.W.:
312.37

Type:
---

AlogP:
2.19

Polar Surface Area:
77.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280345

Name:
3-(4-(2-hydroxypropan-2-yl)phenyl)-7-methylpyrrolo
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Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
---

AlogP:
2.83

Polar Surface Area:
57.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA5280167

Name:
7-chloro-3-(4-(2-hydroxypropan-2-yl)phenyl)pyrrolo
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Mol. Formula:
C16H15ClN2O2

M.W.:
302.76

Type:
---

AlogP:
3.18

Polar Surface Area:
57.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279709

Name:
2-(4-(2-hydroxypropan-2-yl)phenyl)-7-methylthieno[
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Mol. Formula:
C16H16N2O2S

M.W.:
300.38

Type:
---

AlogP:
3.19

Polar Surface Area:
65.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279214

Name:
3-(4-(2-hydroxypropan-2-yl)phenyl)pyrrolo[1,2-a]py
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Mol. Formula:
C16H16N2O2

M.W.:
268.32

Type:
---

AlogP:
2.52

Polar Surface Area:
57.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5278616

Name:
(S)-3-(4-(1,2-dihydroxypropan-2-yl)phenyl)-6-methy
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Mol. Formula:
C17H18N2O3

M.W.:
298.34

Type:
---

AlogP:
1.80

Polar Surface Area:
77.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5277753

Name:
4-(4-Oxo-3,4-dihydroquinazolin-2-yl)benzenesulfona
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Mol. Formula:
C14H11N3O3S

M.W.:
301.33

Type:
---

AlogP:
1.24

Polar Surface Area:
105.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5289848

Name:
6-(4-(2-hydroxypropan-2-yl)phenyl)-3-methylimidazo
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Mol. Formula:
C16H17N3O2

M.W.:
283.33

Type:
---

AlogP:
2.23

Polar Surface Area:
70.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4781804

Name:
(1r,4r)-4-((5-chloro-1-(2-cyano-3-(trifluoromethyl
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Mol. Formula:
C25H21ClF3N3O4

M.W.:
519.91

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
105.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4757303

Name:
(1r,4r)-4-((1-(2-cyano-3-(trifluoromethyl)benzyl)-
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Mol. Formula:
C30H27F3N6O3

M.W.:
576.58

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
122.67

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4556137

Name:
2-(4-(2-Methoxyphenyl)piperazin-1-yl)-3,5,7,8-tetr
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Mol. Formula:
C18H22N4O3S

M.W.:
374.47

6 activity values

6 unique targets

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
84.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5277254

Name:
6-(4-(tert-butyl)phenyl)-3-methylimidazo[1,5-a]pyr
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Mol. Formula:
C17H19N3O

M.W.:
281.36

Type:
---

AlogP:
3.30

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5276381

Name:
6-fluoro-3-(4-(2-hydroxypropan-2-yl)phenyl)pyrrolo
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Mol. Formula:
C16H15FN2O2

M.W.:
286.31

Type:
---

AlogP:
2.66

Polar Surface Area:
57.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA5275705

Name:
5-Methyl-5-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)ph
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Mol. Formula:
C18H14N4O3

M.W.:
334.34

Type:
---

AlogP:
1.64

Polar Surface Area:
103.95

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5275576

Name:
3-(4-(3-hydroxyoxetan-3-yl)phenyl)-6-methylpyrrolo
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Mol. Formula:
C17H16N2O3

M.W.:
296.33

Type:
---

AlogP:
1.82

Polar Surface Area:
66.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS