Compounds

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4539026

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C29H32N2O

M.W.:
424.59

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4535500

Name:
(4-fluorophenyl)(4a-hydroxy-9-methyl-2,3,4,4a,9,9a
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Mol. Formula:
C19H19FN2O2

M.W.:
326.37

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4552013

Name:
1-(4a-hydroxy-9-methyl-2,3,4,4a,9,9a-hexahydro-1H-
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Mol. Formula:
C17H24N2O2

M.W.:
288.39

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA4551824

Name:
1-(3a,8-bis(2-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C34H42N2O

M.W.:
494.72

22 activity values

Type:
Unknown

AlogP:
7.72

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4570183

Name:
1-(4a-hydroxy-9-methyl-2,3,4,4a,9,9a-hexahydro-1H-
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Mol. Formula:
C16H22N2O2

M.W.:
274.36

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.85

DETAILS

ALA4569065

Name:
(2-fluorophenyl)(4a-hydroxy-9-methyl-2,3,4,4a,9,9a
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Mol. Formula:
C19H19FN2O2

M.W.:
326.37

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4568342

Name:
(4a-hydroxy-9-methyl-2,3,4,4a,9,9a-hexahydro-1H-py
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Mol. Formula:
C20H22N2O2

M.W.:
322.41

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4530516

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C34H34N2O

M.W.:
486.66

Type:
Unknown

AlogP:
6.61

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4528886

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C28H27F3N2O

M.W.:
464.53

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4527883

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C34H34N2O2

M.W.:
502.66

Type:
Unknown

AlogP:
6.44

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4517051

Name:
(3-fluorophenyl)(4a-hydroxy-9-methyl-2,3,4,4a,9,9a
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Mol. Formula:
C19H19FN2O2

M.W.:
326.37

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4548563

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C30H34N2O

M.W.:
438.62

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4573049

Name:
1-(4a-hydroxy-9-methyl-2,3,4,4a,9,9a-hexahydro-1H-
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Mol. Formula:
C19H28N2O2

M.W.:
316.45

23 activity values

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4572045

Name:
Outovirin C

Mol. Formula:
C21H24N2O9S3

M.W.:
544.63

8 activity values

3 unique targets

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
149.23

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4579183

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C31H36N2O

M.W.:
452.64

Type:
Unknown

AlogP:
6.55

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4591553

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C33H40N2O

M.W.:
480.70

Type:
Unknown

AlogP:
7.33

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4460169

Name:
1-(4a-hydroxy-9-methyl-2,3,4,4a,9,9a-hexahydro-1H-
Show More⌵

Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4466794

Name:
1-(3a,8-bis(2-methylbenzyl)-3,3a,8,8a-tetrahydropy
Show More⌵

Mol. Formula:
C33H40N2O

M.W.:
480.70

Type:
Unknown

AlogP:
7.33

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4465559

Name:
1-(3a,8-bis(3-methylbenzyl)-3,3a,8,8a-tetrahydropy
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Mol. Formula:
C30H34N2O

M.W.:
438.62