Compounds

Type:
---

AlogP:
2.64

Polar Surface Area:
38.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4646315

Name:
((1R,3S)-1-amino-3-((R)-6-((3-methoxyphenylthio)methyl)-5,6,7,8-tetrahydronShow More⌵

Mol. Formula:
C24H32NO5PS

M.W.:
477.56

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
102.01

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4644777

Name:
((1R,3S)-1-amino-3-((R)-6-(benzyloxymethyl)-5,6,7,8-tetrahydronaphthalen-2-Show More⌵

Mol. Formula:
C24H32NO5P

M.W.:
445.50

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
102.01

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4643938

Name:
((1R,3S)-1-amino-3-((R)-6-((2-methoxyphenylthio)methyl)-5,6,7,8-tetrahydronShow More⌵

Mol. Formula:
C24H32NO5PS

M.W.:
477.56

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
102.01

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4641770

Name:
((1R,3S)-1-amino-3-((R)-6-((3-methoxyphenoxy)methyl)-5,6,7,8-tetrahydronaphShow More⌵

Mol. Formula:
C24H32NO6P

M.W.:
461.50

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
111.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4637891

Name:
((1R,3S)-1-amino-3-((R)-6-((2-methoxyphenoxy)methyl)-5,6,7,8-tetrahydronaphShow More⌵

Mol. Formula:
C24H32NO6P

M.W.:
461.50

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
111.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4637401

Name:
((1R,3S)-1-amino-3-((S)-6-(2-methoxyphenethyl)-5,6,7,8-tetrahydronaphthalenShow More⌵

Mol. Formula:
C25H34NO5P

M.W.:
459.52

23 activity values

8 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
102.01

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4593097

Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-9-Hydroxymethyl-3a,3b,6,6,10a-pentamShow More⌵

Mol. Formula:
C32H52N2O4

M.W.:
528.78

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
98.60

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4592011

Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-3a,3b,6,6,10a-pentamethyl-8-Show More⌵

Mol. Formula:
C37H51NO3S

M.W.:
589.89

Type:
Unknown

AlogP:
8.40

Polar Surface Area:
59.42

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4587178

Name:
NA

Mol. Formula:
C36H49ClFNO3

M.W.:
598.24

Type:
Unknown

AlogP:
8.55

Polar Surface Area:
62.32

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4586134

Name:
NA

Mol. Formula:
C38H53NO4S

M.W.:
619.91

Type:
Unknown

AlogP:
8.41

Polar Surface Area:
68.65

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4581114

Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-3a,3b,6,6,10a-pentamethyl-8-Show More⌵

Mol. Formula:
C37H52N2O3S

M.W.:
604.90

Type:
Unknown

AlogP:
8.47

Polar Surface Area:
71.45

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4566357

Name:
NA

Mol. Formula:
C36H50ClNO3

M.W.:
580.25

Type:
Unknown

AlogP:
8.41

Polar Surface Area:
62.32

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4552137

Name:
NA

Mol. Formula:
C38H56N2O4

M.W.:
604.88

Type:
Unknown

AlogP:
6.74

Polar Surface Area:
87.74

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4540586

Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-3a,3b,6,6,10a-Pentamethyl-1-((R)-2,6Show More⌵

Mol. Formula:
C31H50N2O3

M.W.:
498.75

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
78.37

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4537930

Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-3a,3b,6,6,10a-Pentamethyl-9-trifluorShow More⌵

Mol. Formula:
C32H49F3N2O3

M.W.:
566.75

Type:
Unknown

AlogP:
6.81

Polar Surface Area:
78.37

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4532494

Name:
NA

Mol. Formula:
C34H51NO5S

M.W.:
585.85

Type:
Unknown

AlogP:
6.91

Polar Surface Area:
85.72

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4529496

Name:
NA

Mol. Formula:
C34H54N2O5

M.W.:
570.82

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
104.67

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4528526

Name:
NA

Mol. Formula:
C40H58N2O5

M.W.:
646.91

Type:
Unknown

AlogP:
7.43

Polar Surface Area:
93.81

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4515114

Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-3a,3b,6,6,10a-pentamethyl-8-Show More⌵

Mol. Formula:
C32H50N2O3S

M.W.:
542.83