Compounds

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4536826

Name:
(E)-3-(4-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-3-m
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Mol. Formula:
C29H36O6

M.W.:
480.60

Type:
Unknown

AlogP:
6.69

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4520772

Name:
(E)-1-(4-Hydroxyphenyl)-3-(3-methoxy-4-((3-methylb
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Mol. Formula:
C21H22O4

M.W.:
338.40

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4558376

Name:
(E)-1-(3-Methoxy-4-((3-methylbut-2-en-1-yl)oxy)phe
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Mol. Formula:
C24H28O6

M.W.:
412.48

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4547047

Name:
(E)-1-(4-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-3-m
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Mol. Formula:
C32H40O5

M.W.:
504.67

7 activity values

4 unique targets

Type:
Unknown

AlogP:
8.02

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4745060

Name:
(2R,4aR,4bR,6aR,6bS,8aS,12aS,14bR,16aS)-4a,6a,6b,1
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Mol. Formula:
C38H60O9

M.W.:
660.89

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
145.91

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4743833

Name:
(4aS,6aS,6bR,8aR,9R,10S,12aR,14bS)-ethyl 10-hydrox
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Mol. Formula:
C32H52O4

M.W.:
500.76

Type:
Unknown

AlogP:
6.68

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4743307

Name:
1-((4aR,4bR,6aR,6bS,8aS,12aS,14aR,14bR,16aS)-2,2,4
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Mol. Formula:
C39H59N3O3

M.W.:
617.92

Type:
Unknown

AlogP:
8.57

Polar Surface Area:
72.48

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4740796

Name:
1-(3-(1H-imidazol-1-yl)propyl)-3-((4aR,4bR,6aR,6bS
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Mol. Formula:
C39H62N4O3

M.W.:
634.95

Type:
Unknown

AlogP:
8.26

Polar Surface Area:
77.41

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4763669

Name:
1-(2-aminoethyl)-3-((4aR,4bR,6aR,6bS,8aS,12aS,14bR
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Mol. Formula:
C35H59N3O3

M.W.:
569.88

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
85.61

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4763379

Name:
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-methyl 10-
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Cas Number:
17736-04-8

Mol. Formula:
C31H50O4

M.W.:
486.74

Type:
Unknown

AlogP:
6.29

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4762138

Name:
4-acetyl-N-((4aR,4bR,6aR,6bS,8aS,12aS,14bR,16aS)-2
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Mol. Formula:
C39H63N3O4

M.W.:
637.95

Type:
Unknown

AlogP:
7.55

Polar Surface Area:
71.11

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4761968

Name:
(1R,2R,3S,4S)-1-((2R,4aR,4bR,6aR,6bS,8aS,12aS,14bR
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Mol. Formula:
C36H60O7

M.W.:
604.87

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4575684

Name:
(E)-3-(3,4-Dimethoxyphenyl)-1-(4-((3,7-dimethyloct
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Mol. Formula:
C28H34O5

M.W.:
450.58

Type:
Unknown

AlogP:
6.68

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4573885

Name:
(E)-1-(3,4-Dimethoxyphenyl)-3-(3-methoxy-4-((3-met
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Mol. Formula:
C23H26O5

M.W.:
382.46

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4760172

Name:
(2R,4aR,4bR,6aR,6bS,8aS,12aS,14aR,14bR,16aS)-4a,6a
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Mol. Formula:
C38H60O8

M.W.:
644.89

Type:
Unknown

AlogP:
5.85

Polar Surface Area:
125.68

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4759826

Name:
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(3-carb
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Mol. Formula:
C38H56O10

M.W.:
672.86

5 activity values

3 unique targets

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
164.50

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4758545

Name:
(2R,4aR,4bR,6aR,6bS,8aS,12aS,14bR,16aS)-4a,6a,6b,1
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Mol. Formula:
C36H58O8

M.W.:
618.85

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
136.68

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4756055

Name:
N-((4aR,4bR,6aR,6bS,8aS,12aS,14bR,16aS)-2,2,4a,6a,
Show More⌵

Mol. Formula:
C38H63N3O3

M.W.:
609.94

Type:
Unknown

AlogP:
7.68

Polar Surface Area:
62.83

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4756032

Name:
(4aR,4bR,6aR,6bS,8aS,12aS,14bR,16aS)-2-(5-(ethoxym
Show More⌵

Mol. Formula:
C38H56O6

M.W.:
608.86