Compounds

ALA4592431

Name:
((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-dihydrShow More⌵

Mol. Formula:
C27H31NO5

M.W.:
449.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4580347

Name:
(S)-((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-diShow More⌵

Mol. Formula:
C25H34N2O5

M.W.:
442.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
93.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4573718

Name:
(S)-((1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oShow More⌵

Mol. Formula:
C29H36N2O5

M.W.:
492.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4565147

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C27H30N2O7

M.W.:
494.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
124.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4559740

Name:
((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-dihydrShow More⌵

Mol. Formula:
C27H30N2O7

M.W.:
494.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
124.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4531651

Name:
(R)-((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5- dShow More⌵

Mol. Formula:
C26H38N2O5

M.W.:
458.60

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4476790

Name:
(1R,5aS,6R,9aS)-1-(hydroxymethyl)-1,5a-dimethyl-7-methylene-6-((E)-2-(2-oxoShow More⌵

Mol. Formula:
C20H27NO4

M.W.:
345.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4474580

Name:
(R)-((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-diShow More⌵

Mol. Formula:
C29H36N2O5

M.W.:
492.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4473377

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C27H30N2O7

M.W.:
494.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
124.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4466819

Name:
((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-dihydrShow More⌵

Mol. Formula:
C28H39NO5S2

M.W.:
533.76

25 activity values

4 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
81.70

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4458194

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C26H30N2O5

M.W.:
450.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
94.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4457024

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C28H39NO5S2

M.W.:
533.76

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
81.70

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4452036

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C27H31NO5

M.W.:
449.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4448145

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C23H32N2O5

M.W.:
416.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
93.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4441499

Name:
((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-dihydrShow More⌵

Mol. Formula:
C26H30N2O5

M.W.:
450.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
94.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4440743

Name:
(1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,Show More⌵

Mol. Formula:
C22H30N2O5

M.W.:
402.49

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4440088

Name:
((1R,5aS,6R,9aS)-1,5a-dimethyl-7-methylene-3-oxo-6-((E)-2-(2-oxo-2,5-dihydrShow More⌵

Mol. Formula:
C27H30N2O7

M.W.:
494.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
124.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4439269

Name:
(R)-((1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oShow More⌵

Mol. Formula:
C25H34N2O5

M.W.:
442.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
93.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4437763

Name:
(S)-((1S,2R,4aS,5R,8aS)-1-formamido-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oShow More⌵

Mol. Formula:
C26H38N2O5

M.W.:
458.60

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4435724

Name:
N-((1S,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2Show More⌵

Mol. Formula:
C20H27NO4

M.W.:
345.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS