Compounds

ALA1097713

Name:
Sodium 4-((E)-2-(methoxycarbonyl)vinyloxy)-5,5-dim
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Mol. Formula:
C12H15NaO5

M.W.:
262.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1097712

Name:
4-((E)-2-(Methoxycarbonyl)vinyloxy)dec-2-ynoic aci
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Mol. Formula:
C14H20O5

M.W.:
268.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
72.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1097711

Name:
(E)-methyl 3-(1-phenylprop-2-ynyloxy)acrylate

Mol. Formula:
C13H12O3

M.W.:
216.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1097382

Name:
(E)-methyl 3-(prop-2-ynyloxy)acrylate

Mol. Formula:
C7H8O3

M.W.:
140.14

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.32

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.19

DETAILS

ALA1097381

Name:
Ethyl 4-((E)-2-(methoxycarbonyl)vinyloxy)-5-methyl
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Mol. Formula:
C13H18O5

M.W.:
254.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1095067

Name:
(E)-2-isopropyl-5-methylcyclohexyl 4-(3-(2-isoprop
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Mol. Formula:
C30H48O5

M.W.:
488.71

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1096371

Name:
tert-Butyl 4-((E)-2-(tert-butoxycarbonyl)vinyloxy)
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Mol. Formula:
C18H28O5

M.W.:
324.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1096021

Name:
(6S)-ethyl 4-((E)-3-ethoxy-3-oxoprop-1-enyloxy)-6,
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Mol. Formula:
C20H30O5

M.W.:
350.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1097283

Name:
Methyl 4-((E)-2-(methoxycarbonyl)vinyloxy)-5-pheny
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Mol. Formula:
C17H18O5

M.W.:
302.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1096974

Name:
Methyl 4-((E)-2-(methoxycarbonyl)vinyloxy)-6-pheny
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Mol. Formula:
C17H18O5

M.W.:
302.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1094780

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)dec-2-
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Mol. Formula:
C15H22O5

M.W.:
282.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1094778

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)-5,5-d
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Mol. Formula:
C13H18O5

M.W.:
254.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1096069

Name:
Methyl 4-((E)-2-(methoxycarbonyl)vinyloxy)-5-methy
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Mol. Formula:
C13H18O5

M.W.:
254.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1096068

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)-6-met
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Mol. Formula:
C13H18O5

M.W.:
254.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1096066

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)-5-met
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Mol. Formula:
C12H16O5

M.W.:
240.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1095751

Name:
Methyl 4-((E)-2-(methoxycarbonyl)vinyloxy)-4-cyclo
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Mol. Formula:
C12H14O5

M.W.:
238.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1096662

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)pent-2
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Mol. Formula:
C10H12O5

M.W.:
212.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.25

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1096736

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)hex-2-
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Mol. Formula:
C11H14O5

M.W.:
226.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1096735

Name:
(E)-methyl 4-(3-methoxy-3-oxoprop-1-enyloxy)hept-2
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Mol. Formula:
C12H16O5

M.W.:
240.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4526976

Name:
Uasdlabdane A

Mol. Formula:
C20H30O4

M.W.:
334.46

6 activity values

6 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS