Compounds

Type:
Unknown

AlogP:
7.63

Polar Surface Area:
66.91

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4861971

Name:
1-(2,3-Dihydrobenzofuran-4-yl)-3-(3-(1-methyl-1H-p
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Mol. Formula:
C21H18N6O2

M.W.:
386.42

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
93.96

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4861929

Name:
1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-3-
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Mol. Formula:
C20H15F3N6O2

M.W.:
428.37

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
93.96

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4861753

Name:
15beta-hydroxywithanolide D

Mol. Formula:
C28H38O7

M.W.:
486.61

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
116.59

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4860484

Name:
(E)-4-(3-(5-(acryloyloxy)-7-methoxy-2,2-dimethylch
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Mol. Formula:
C27H26O7

M.W.:
462.50

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
88.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4859710

Name:
2-(4-bromophenyl)-N-(2,3-di(furan-2-yl)quinoxalin-
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Mol. Formula:
C24H16BrN3O3

M.W.:
474.31

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
81.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4859159

Name:
N-(4-(2,5-dimethylphenyl)-1H-imidazol-2-yl)-4-(pip
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Mol. Formula:
C23H26N4O3S

M.W.:
438.55

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
95.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4858244

Name:
(E)-4-(3-(5-hydroxy-7-methoxy-2,2-dimethylchroman-
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Mol. Formula:
C28H25FO6

M.W.:
476.50

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4858174

Name:
(E)-6-(3-(4-hydroxyphenyl)acryloyl)-7-methoxy-2,2-
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Mol. Formula:
C24H24O6

M.W.:
408.45

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4858088

Name:
1-(4-chlorophenyl)-3-(2,3-diphenylquinoxalin-6-yl)
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Mol. Formula:
C27H19ClN4O

M.W.:
450.93

Type:
Unknown

AlogP:
7.26

Polar Surface Area:
66.91

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4858077

Name:
N-(4-(5-bromo-2-methylphenyl)thiazol-2-yl)-4-(pipe
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Mol. Formula:
C22H22BrN3O3S2

M.W.:
520.47

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4857693

Name:
(E)-4-(3-(5-hydroxy-7-methoxy-2,2-dimethylchroman-
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Mol. Formula:
C23H24O6

M.W.:
396.44

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4857677

Name:
4-(2,5-dimethylphenyl)-N-(4-(piperidin-1-ylsulfony
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Mol. Formula:
C23H27N3O2S2

M.W.:
441.62

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
62.30

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4857288

Name:
1-(4-Ruoro-3-methylphenyl)-3-(3-(1-methyl-1H-pyraz
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Mol. Formula:
C20H17FN6O

M.W.:
376.39

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
84.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4857219

Name:
N-(4-(2,5-dimethylphenyl)thiazol-2-yl)-6-(piperidi
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Mol. Formula:
C22H24N4O3S2

M.W.:
456.59

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
92.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4856849

Name:
1-(2,3-Dihydro-1H-inden-4-yl)-3-(3-(1-methyl-1H-py
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Mol. Formula:
C22H20N6O

M.W.:
384.44

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
84.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4856803

Name:
N-(4-(2,6-dimethylphenyl)thiazol-2-yl)-4-(piperidi
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Mol. Formula:
C23H25N3O3S2

M.W.:
455.61

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4856686

Name:
N-(4-(2,5-dimethylphenyl)thiazol-2-yl)-4-(piperidi
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Mol. Formula:
C23H25N3O3S2

M.W.:
455.61

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4856587

Name:
(E)-6-(3-(4-acetoxyphenyl)acryloyl)-7-methoxy-2,2-
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Mol. Formula:
C26H26O7

M.W.:
450.49

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
88.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4856552

Name:
N-(4-(2,5-dimethylphenyl)thiazol-2-yl)-N-methyl-4-
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Mol. Formula:
C24H27N3O3S2

M.W.:
469.63