Compounds

ALA5282683

Name:
4-((1S,3aR,5S,6S,7aR,14aS)-6,8-dihydroxy-2,2,11-tr
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Mol. Formula:
C37H44O9

M.W.:
632.75

Type:
---

AlogP:
4.82

Polar Surface Area:
139.59

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5282409

Name:
6-epi-7-deoxy-casuarine

Mol. Formula:
C8H15NO4

M.W.:
189.21

Type:
---

AlogP:
-2.48

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5282285

Name:
3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]p
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Mol. Formula:
C33H24N2O7S

M.W.:
592.63

Type:
---

AlogP:
6.31

Polar Surface Area:
134.17

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5282120

Name:
6-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)-7-((4-h
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Mol. Formula:
C34H27N3O8

M.W.:
605.60

Type:
---

AlogP:
4.75

Polar Surface Area:
166.73

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5281905

Name:
6,7-dideoxy-6-fluorocasuarine

Mol. Formula:
C8H14FNO3

M.W.:
191.20

Type:
---

AlogP:
-1.50

Polar Surface Area:
63.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281336

Name:
1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-met
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Mol. Formula:
C24H26O7

M.W.:
426.47

Type:
---

AlogP:
4.36

Polar Surface Area:
120.36

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5281320

Name:
3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]p
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Mol. Formula:
C33H24N2O7S

M.W.:
592.63

Type:
---

AlogP:
6.31

Polar Surface Area:
134.17

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5280381

Name:
4-((1S,3aR,5S,6S,7aR,11S,14aS)-6-ethoxy-8-hydroxy-
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Mol. Formula:
C39H48O9

M.W.:
660.80

Type:
---

AlogP:
5.87

Polar Surface Area:
128.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5280071

Name:
1,3-dihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-
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Mol. Formula:
C25H26O7

M.W.:
438.48

Type:
---

AlogP:
4.44

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5279919

Name:
7-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-6-(piperid
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Mol. Formula:
C26H25N3O5S

M.W.:
491.57

Type:
---

AlogP:
4.09

Polar Surface Area:
107.65

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5279710

Name:
5,7,10-trihydroxy-1,1,2-trimethyl-1,2-dihydro-6H-f
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Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
---

AlogP:
3.12

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5279086

Name:
1-hydroxy-4,5-dimethoxy-3-(((2R,3S,4S,5R,6S)-3,4,5
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Mol. Formula:
C21H22O11

M.W.:
450.40

Type:
---

AlogP:
-0.15

Polar Surface Area:
168.28

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5278897

Name:
6-deoxy-6-difluoro-7-epi-casuarine

Mol. Formula:
C8H13F2NO4

M.W.:
225.19

Type:
---

AlogP:
-2.24

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278838

Name:
3,8-dihydroxy-4,5-dimethoxy-1-(((2R,3S,4S,5R,6S)-3
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Mol. Formula:
C26H30O16

M.W.:
598.51

Type:
---

AlogP:
-1.98

Polar Surface Area:
247.43

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5278158

Name:
5,12-dihydroxy-2,2,10,10-tetramethyl-2H,6H,10H-dip
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Mol. Formula:
C23H20O6

M.W.:
392.41

Type:
---

AlogP:
4.73

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5278005

Name:
3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methy
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Mol. Formula:
C24H22O7

M.W.:
422.43

Type:
---

AlogP:
5.03

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5278001

Name:
6-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)-7-((4-h
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Mol. Formula:
C32H25N3O10

M.W.:
611.56

Type:
---

AlogP:
4.17

Polar Surface Area:
194.08

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277933

Name:
5-(2,6-dichlorophenyl)-6-(3-(4-hydroxy-3-methoxyph
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Mol. Formula:
C32H24Cl2N2O8

M.W.:
635.46

Type:
---

AlogP:
5.57

Polar Surface Area:
150.94

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5287666

Name:
1,3,5,8-tetrahydroxy-4-(3-methylbut-2-en-1-yl)-2-(
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Mol. Formula:
C23H22O6

M.W.:
394.42

Type:
---

AlogP:
4.87

Polar Surface Area:
111.13

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5287562

Name:
6-methoxy-7-(3-methylbuta-1,3-dien-1-yl)-9H-xanthe
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Mol. Formula:
C19H18O5

M.W.:
326.35

Type:
---

AlogP:
4.10

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS