Compounds

ALA5287463

Name:
N-(Benzylsulfonyl)-1-(3-cyano-5-oxo-5,7-dihydrofur
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Mol. Formula:
C21H19FN4O5S

M.W.:
458.47

Type:
---

AlogP:
1.58

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287319

Name:
N-(benzylsulfonyl)-1-(3-cyano-5-oxo-5,7-dihydrofur
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Mol. Formula:
C22H22N4O5S

M.W.:
454.51

Type:
---

AlogP:
1.88

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5286497

Name:
N-(Benzylsulfonyl)-1-(3-cyano-5-oxo-6,7-dihydro-5H
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Mol. Formula:
C21H21N5O4S

M.W.:
439.50

Type:
---

AlogP:
1.06

Polar Surface Area:
132.26

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5284683

Name:
(2S,4R)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hex
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Mol. Formula:
C21H24FN5O6

M.W.:
461.45

Type:
---

AlogP:
0.56

Polar Surface Area:
187.50

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5284449

Name:
N-(Benzylsulfonyl)-1-(3-cyano-5-oxo-5,6,7,8-tetrah
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Mol. Formula:
C23H24N4O4S

M.W.:
452.54

Type:
---

AlogP:
2.33

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5283741

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-y
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Mol. Formula:
C22H21FN4O5S

M.W.:
472.50

Type:
---

AlogP:
2.14

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5283070

Name:
2,9,9-trimethyl-12-phenyl-9,10-dihydro-8H-chromeno
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Mol. Formula:
C21H20N4O2

M.W.:
360.42

Type:
---

AlogP:
3.60

Polar Surface Area:
69.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5280034

Name:
4-imino-3-(4-methoxyphenyl)-8,8-dimethyl-5-phenyl-
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Mol. Formula:
C26H25N3O3

M.W.:
427.50

Type:
---

AlogP:
4.53

Polar Surface Area:
77.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5279535

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-y
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Mol. Formula:
C23H22N4O5S

M.W.:
466.52

Type:
---

AlogP:
1.98

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5279194

Name:
N-(Benzylsulfonyl)-1-(3-cyano-6-fluoro-5-oxo-5,6,7
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Mol. Formula:
C23H23FN4O4S

M.W.:
470.53

Type:
---

AlogP:
2.28

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5279163

Name:
N-(Benzylsulfonyl)-1-(3-cyano-7-methyl-5-oxo-5,7-d
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Mol. Formula:
C21H20N4O5S

M.W.:
440.48

Type:
---

AlogP:
1.66

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279131

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-y
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Mol. Formula:
C22H19N5O5S

M.W.:
465.49

Type:
---

AlogP:
1.36

Polar Surface Area:
153.25

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5278996

Name:
N-(Benzylsulfonyl)-1-(3-cyano-5-oxo-7,8-dihydro-5H
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Mol. Formula:
C22H22N4O5S

M.W.:
454.51

Type:
---

AlogP:
1.53

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5278331

Name:
9,9-dimethyl-12-phenyl-9,10-dihydro-8H-chromeno[3,
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Mol. Formula:
C20H18N4O2

M.W.:
346.39

Type:
---

AlogP:
3.29

Polar Surface Area:
69.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278228

Name:
N-((1S,2R)-2-((4-bromo-2-(methylcarbamoyl)-6-nitro
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Mol. Formula:
C25H25BrN4O4

M.W.:
525.40

Type:
---

AlogP:
5.02

Polar Surface Area:
113.37

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5291356

Name:
3-(3-chlorophenyl)-4-imino-8,8-dimethyl-5-phenyl-5
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Mol. Formula:
C25H22ClN3O2

M.W.:
431.92

Type:
---

AlogP:
5.17

Polar Surface Area:
67.97

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5290886

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-y
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Mol. Formula:
C21H19FN4O5S

M.W.:
458.47

Type:
---

AlogP:
1.63

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5290357

Name:
(2S,4S)-2-fluoro-4-(4-(((2-methyl-4-oxo-3,4-dihydr
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Mol. Formula:
C25H23FN4O6

M.W.:
494.48

Type:
---

AlogP:
1.87

Polar Surface Area:
152.69

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5290276

Name:
2-(7-methoxy-2-oxo-2H-chromen-4-yl)-9,9-dimethyl-1
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Mol. Formula:
C30H24N4O5

M.W.:
520.55

Type:
---

AlogP:
5.07

Polar Surface Area:
108.82

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5290206

Name:
(2S,4S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hex
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Mol. Formula:
C21H24FN5O6

M.W.:
461.45

Type:
---

AlogP:
0.56

Polar Surface Area:
187.50

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS