Compounds

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
50.44

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4554774

Name:
N-[(S)-1,2,3,10-Tetramethoxy-9-oxo-4-(tetrahydro-p
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Mol. Formula:
C28H35NO8

M.W.:
513.59

2 activity values

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
101.55

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4572410

Name:
{(5R,6R)-5-[9-(Furan-9-yl)ethyl]-5-methyl-1-methyl
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Mol. Formula:
C15H22O2

M.W.:
234.34

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
33.37

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4789928

Name:
N-((S)-7-Acetylamino-1,2,3,10-tetramethoxy-9-oxo-5
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Mol. Formula:
C26H32N2O7

M.W.:
484.55

3 activity values

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
103.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4788154

Name:
((S)-7-Acetylamino-1,2,3,10-tetramethoxy-9-oxo-5,6
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Mol. Formula:
C26H32N2O8

M.W.:
500.55

3 activity values

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
121.42

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4856474

Name:
16beta-hydroxybersamagenin-1,3,5-orthoacetate

Mol. Formula:
C26H34O7

M.W.:
458.55

2 activity values

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4872098

Name:
Paulliniogenin A; (1beta,3beta,5beta)-ethylidynetr
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Mol. Formula:
C26H30O6

M.W.:
438.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
74.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4464000

Name:
Sparticolin B

Mol. Formula:
C19H12O5

M.W.:
320.30

20 activity values

20 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4467773

Name:
(9Z)-9-{9-[(6S)-5,5-Dimethyl-1-methylidenecyclohex
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Mol. Formula:
C15H26O2

M.W.:
238.37

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4551243

Name:
(2E,4S,5S,6R)-4,5,6-Trihydroxy-2-methyl-6-[(7R)-10
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Mol. Formula:
C15H24O5

M.W.:
284.35

Type:
Unknown

AlogP:
1.24

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4647749

Name:
(E)-2-Methoxy-4-(3,4,5-trimethoxystyryl)phenyl ste
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Mol. Formula:
C36H54O6

M.W.:
582.82

Type:
Unknown

AlogP:
10.06

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4646476

Name:
(Z)-2-Methoxy-4-(3,4,5-trimethoxystyryl)phenyl ste
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Mol. Formula:
C36H54O6

M.W.:
582.82

Type:
Unknown

AlogP:
10.06

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4645408

Name:
2-Methoxy-4-((E)-3,4,5-trimethoxystyryl)phenyl-(9Z
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Mol. Formula:
C36H48O6

M.W.:
576.77

Type:
Unknown

AlogP:
9.39

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4643715

Name:
(E)-2-Methoxy-5-(3,4,5-trimethoxystyryl)phenyl ste
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Mol. Formula:
C36H54O6

M.W.:
582.82

Type:
Unknown

AlogP:
10.06

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4643181

Name:
2-Methoxy-5-((E)-3,4,5-trimethoxystyryl)phenyl-(9Z
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Mol. Formula:
C36H48O6

M.W.:
576.77

Type:
Unknown

AlogP:
9.39

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4642707

Name:
2-Methoxy-4-((E)-3,4,5-trimethoxystyryl)phenyl ole
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Mol. Formula:
C36H52O6

M.W.:
580.81

Type:
Unknown

AlogP:
9.83

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4639070

Name:
2-Methoxy-4-((E)-3,4,5-trimethoxystyryl)phenyl-(9Z
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Mol. Formula:
C36H50O6

M.W.:
578.79

Type:
Unknown

AlogP:
9.61

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4637699

Name:
2-Methoxy-5-((Z)-3,4,5-trimethoxystyryl)phenyl ole
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Mol. Formula:
C36H52O6

M.W.:
580.81

Type:
Unknown

AlogP:
9.83

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4637351

Name:
2-Methoxy-5-((E)-3,4,5-trimethoxystyryl)phenyl-(9Z
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Mol. Formula:
C36H50O6

M.W.:
578.79

Type:
Unknown

AlogP:
9.61

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4636790

Name:
(Z)-2-Methoxy-5-(3,4,5-trimethoxystyryl)phenyl ste
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Mol. Formula:
C36H54O6

M.W.:
582.82