Compounds

ALA4099161

Name:
Methyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene
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Mol. Formula:
C16H20O5

M.W.:
292.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4098312

Name:
4-(Trifluoromethyl)benzyl (1aR,7aS,10aS,10bS,E)-1a
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Mol. Formula:
C23H23F3O5

M.W.:
436.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4091140

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(pip
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Mol. Formula:
C20H27NO4

M.W.:
345.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4088726

Name:
4-((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-o
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Mol. Formula:
C21H27F3N2O6

M.W.:
460.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
71.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4088010

Name:
(1aR,1a'R,4E,4'E,7aS,7a'S,10aS,10bS,10a'S,10b'S)-5
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Mol. Formula:
C34H42N2O8

M.W.:
606.72

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
118.28

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4087934

Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo
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Mol. Formula:
C24H26O5

M.W.:
394.47

12 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4085298

Name:
(1aR,7aS,10aS,10bS,E)-5-(methoxymethyl)-1a-methyl-
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Mol. Formula:
C16H22O4

M.W.:
278.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
48.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4073455

Name:
(1aR,7aS,10aS,10bS,E)-5-(benzo[d]thiazol-2-yl)-1a-
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Mol. Formula:
C21H21NO3S

M.W.:
367.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
51.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4071266

Name:
(1aR,7aS,10aS,10bS,E)-N,N,1a-trimethyl-8-methylene
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Mol. Formula:
C17H23NO4

M.W.:
305.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4070198

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-m
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Mol. Formula:
C21H29NO4

M.W.:
359.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4063683

Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo
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Mol. Formula:
C20H22O5S

M.W.:
374.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
65.13

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4062619

Name:
Benzyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene
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Mol. Formula:
C22H24O5

M.W.:
368.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4062240

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(pyr
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Mol. Formula:
C19H25NO4

M.W.:
331.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4061534

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(mor
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Mol. Formula:
C19H25NO5

M.W.:
347.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
68.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4060491

Name:
tert-Butyl 4-((1aR,7aS,10aS,10bS,E)-1a-methyl-8-me
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Mol. Formula:
C24H34N2O6

M.W.:
446.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
88.68

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4083359

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-p
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Mol. Formula:
C26H31NO4

M.W.:
421.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4082766

Name:
(1aR,7aS,10aS,10bS,E)-5-(((4-methoxybenzyl)oxy)met
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Mol. Formula:
C23H28O5

M.W.:
384.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
57.29

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4077243

Name:
(1aR,7aS,10aS,10bS,E)-N,N-diethyl-1a-methyl-8-meth
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Mol. Formula:
C19H27NO4

M.W.:
333.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4077129

Name:
(1aR,7aS,10aS,10bS,E)-5-((Benzyloxy)methyl)-1a-met
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Mol. Formula:
C22H26O4

M.W.:
354.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
48.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4075902

Name:
(1aR,7aS,10aS,10bS,E)-N,N-dibutyl-1a-methyl-8-meth
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Mol. Formula:
C23H35NO4

M.W.:
389.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS