Compounds

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2271708

Name:
(1R,2R,4R,5S)-1,2,4-trichloro-5-(2-chlorovinyl)-1,
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Mol. Formula:
C10H14Cl4

M.W.:
276.03

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2271707

Name:
(1R,2R,4R,5R)-1,2,4-trichloro-5-(2-chlorovinyl)-1,
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Mol. Formula:
C10H14Cl4

M.W.:
276.03

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2271706

Name:
(1R,2R,4R)-2,4-dichloro-1-(2-chlorovinyl)-1-methyl
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Mol. Formula:
C10H13Cl3

M.W.:
239.57

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2271705

Name:
(R)-4-(2-chlorovinyl)-2,4-dimethylcyclohexa-2,5-di
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Mol. Formula:
C10H11ClO

M.W.:
182.65

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA2271704

Name:
(Z)-2,8,8-tribromo-1,7-dichloro-2,6-dimethyloct-5-
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Mol. Formula:
C12H17Br3Cl2O2

M.W.:
503.88

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2271703

Name:
6-(dibromomethyl)-2-(1,2-dichloropropan-2-yl)-5-me
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Mol. Formula:
C10H14Br2Cl2O

M.W.:
380.94

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
9.23

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2271702

Name:
Pantoneurine AB

Mol. Formula:
C10H15Br2ClO

M.W.:
346.49

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
9.23

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2271701

Name:
prefuroplocamioid

Mol. Formula:
C10H14Br2Cl2O

M.W.:
380.94

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2271700

Name:
(2R,3S,5S)-5-((R)-2-bromo-1-chloropropan-2-yl)-2-(
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Mol. Formula:
C12H16Br2Cl2O3

M.W.:
438.97

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2271699

Name:
furoplocamioid C

Mol. Formula:
C10H14Br2Cl2O2

M.W.:
396.93

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2271698

Name:
(2R,3S,5R)-5-((S)-2-bromo-1-chloropropan-2-yl)-2-(
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Mol. Formula:
C12H16Br2Cl2O3

M.W.:
438.97

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2271697

Name:
furoplocamioid A

Mol. Formula:
C10H14Br2Cl2O2

M.W.:
396.93

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2269815

Name:
(6aR,7S,10aS)-methyl 7,10a-dimethyl-2-oxo-2,4,5,6,
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Mol. Formula:
C17H24O4

M.W.:
292.38

45 activity values

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2269814

Name:
(6aR,7S,10aR,10bR)-methyl 7,10a-dimethyl-2-oxo-2,4
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Mol. Formula:
C17H24O4

M.W.:
292.38

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2269812

Name:
(6aR,7S,10aS)-methyl 7,10a-dimethyl-2-oxo-4,6,6a,7
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Mol. Formula:
C17H22O4

M.W.:
290.36

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2269810

Name:
(4R,6aR,7S,10aS)-methyl 4-isopropyl-7,10a-dimethyl
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Mol. Formula:
C20H28O4

M.W.:
332.44

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2269809

Name:
(41R,5aR,6aR,7S,10aS)-7,10a-dimethyl-2-oxo-2,4,5a,
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Mol. Formula:
C16H20O5

M.W.:
292.33

43 activity values

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
76.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2269808

Name:
(41R,5aR,6aR,7S,10aS)-methyl 7,10a-dimethyl-2-oxo-
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Mol. Formula:
C17H22O5

M.W.:
306.36