Compounds

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4789567

Name:
Rac-(5S,aR) Methyl 5-(2-((3-((2-acetamido-3-methox
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Mol. Formula:
C32H40N2O11S

M.W.:
660.74

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
164.79

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4755958

Name:
(5S)-5-acetamido-2-iodo-9,10,11-trimethoxy-6,7-dih
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Mol. Formula:
C24H26INO6

M.W.:
551.38

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4755840

Name:
N-((7S)-1,2,3-trimethoxy-11-(propan-2-ylidene)-6,7
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Mol. Formula:
C25H29NO5

M.W.:
423.51

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4776448

Name:
N-((7S)-11-((Z)-benzylidene)-1,2,3-trimethoxy-6,7,
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Mol. Formula:
C29H29NO5

M.W.:
471.55

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4753994

Name:
N-((7S)-1,2,3-trimethoxy-11-methyl-6,7-dihydro-5H-
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Mol. Formula:
C23H25NO5

M.W.:
395.46

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
69.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4794828

Name:
N-((7S)-1,2,3-trimethoxy-11-propylidene-6,7,10,11-
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Mol. Formula:
C25H29NO5

M.W.:
423.51

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4794755

Name:
N-((7S)-1,2,3-trimethoxy-12-methyl-10-oxo-5,6,7,10
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Mol. Formula:
C24H25NO6

M.W.:
423.47

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
87.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4794634

Name:
Methyl (5S,aR)-9,10,11-trimethoxy-5-(2-(3-methylbu
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Mol. Formula:
C27H32N2O7

M.W.:
496.56

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
112.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4794117

Name:
N-((7S)-10,10-difluoro-1,2,3-trimethoxy-11-methyle
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Mol. Formula:
C23H23F2NO5

M.W.:
431.44

13 activity values

8 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4800456

Name:
N-((7S)-1,2,3-trimethoxy-11-methylene-6,7,10,11-te
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Mol. Formula:
C23H25NO5

M.W.:
395.46

27 activity values

10 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4800255

Name:
(5S)-5-acetamido-2-iodo-9,10,11-trimethoxy-6,7-dih
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Mol. Formula:
C24H23F3INO6

M.W.:
605.35

Type:
Unknown

AlogP:
5.13

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4798577

Name:
Methyl (5S,aR)-5-(2-((2E,4E)-hexa-2,4-dienamido)ac
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Mol. Formula:
C28H32N2O7

M.W.:
508.57

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
112.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4797732

Name:
1',2',3'-Trimethoxybenzo[5',6':5,4]-1H-(aR,1S)-1-(
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Mol. Formula:
C31H33NO9

M.W.:
563.60

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
122.53

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4785493

Name:
Methyl 2-((7S)-7-acetamido-1,2,3-trimethoxy-6,7-di
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Mol. Formula:
C25H27NO7

M.W.:
453.49

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
96.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4763296

Name:
(5S)-5-acetamido-2-iodo-9,10,11-trimethoxy-6,7-dih
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Mol. Formula:
C23H24INO6

M.W.:
537.35

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4763029

Name:
Methyl (5S,aR)-9,10,11-trimethoxy-5-(2-((E)-4,4,4-
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Mol. Formula:
C26H27F3N2O7

M.W.:
536.50

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
112.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4761555

Name:
methyl (5S,aR)-9,10,11-trimethoxy-5-(2-((3-methylb
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Mol. Formula:
C27H31NO8

M.W.:
497.54

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
109.39

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4759719

Name:
Methyl (5S,aR)-5-(2-((E)-but-2-enamido)acetamido)-
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Mol. Formula:
C26H30N2O7

M.W.:
482.53

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
112.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4759452

Name:
1',2',3'-Trimethoxybenzo[5',6':5,4]-1H-(aR,1S)-1-(
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Mol. Formula:
C29H32N2O7

M.W.:
520.58