Compounds

ALA4576806

Name:
(+/-)-(2,4-Dimethoxyphenyl)(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)metShow More⌵

Mol. Formula:
C20H22O4

M.W.:
326.39

8 activity values

4 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4556946

Name:
(+/-)-(2,4-Dimethoxyphenyl)(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)metShow More⌵

Mol. Formula:
C20H22O4

M.W.:
326.39

8 activity values

4 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4471467

Name:
4-Hdroxy-4'-methylchalcone

Mol. Formula:
C16H14O2

M.W.:
238.29

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4470333

Name:
(+/-)-(6-Hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(2-hydroxy-4-methoxyphenShow More⌵

Mol. Formula:
C18H18O4

M.W.:
298.34

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4445762

Name:
2',4-Dihydroxy-3-methyl-4'-methoxychalcone

Mol. Formula:
C17H16O4

M.W.:
284.31

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4295133

Name:
cyclohexyl 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2,7,7-trimethyl-5-oxo-1,Show More⌵

Mol. Formula:
C27H33NO5

M.W.:
451.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4293862

Name:
(S)-(1-tert-Butoxycarbonyl)piperidin-4-yl)methyl 4-(3-bromophenyl)-2,7,7,-tShow More⌵

Mol. Formula:
C30H39BrN2O5

M.W.:
587.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4293443

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(3-(1H-indol-5-yl)phenyl)-2Show More⌵

Mol. Formula:
C38H45N3O5

M.W.:
623.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.63

Polar Surface Area:
100.73

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4292016

Name:
pyrazin-2-ylmethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexaShow More⌵

Mol. Formula:
C24H24BrN3O3

M.W.:
482.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
81.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4290058

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 2,7,7-trimethyl-5-oxo-4-(3-(tShow More⌵

Mol. Formula:
C31H39F3N2O5

M.W.:
576.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4288595

Name:
4-(3-Bromo-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-Show More⌵

Mol. Formula:
C29H34BrNO3

M.W.:
524.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4288289

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(3-bromophenyl)-2,7,7-trimeShow More⌵

Mol. Formula:
C30H39BrN2O5

M.W.:
587.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4288274

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(3-cyanophenyl)-2,7,7-trimeShow More⌵

Mol. Formula:
C31H39N3O5

M.W.:
533.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
108.73

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4288209

Name:
(R)-2-cyano-1-phenylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7Show More⌵

Mol. Formula:
C28H27BrN2O3

M.W.:
519.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
79.19

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4287878

Name:
cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquiShow More⌵

Mol. Formula:
C25H30BrNO3

M.W.:
472.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4286267

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(3,5-dichlorophenyl)-2,7,7-Show More⌵

Mol. Formula:
C30H38Cl2N2O5

M.W.:
577.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4285602

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(biphenyl-4-yl)-2,7,7-trimeShow More⌵

Mol. Formula:
C36H44N2O5

M.W.:
584.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.15

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4284483

Name:
cyclohexyl 2,7,7-trimethyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-Show More⌵

Mol. Formula:
C26H30F3NO3

M.W.:
461.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4283267

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 4-(4-bromo-2-fluorophenyl)-2,Show More⌵

Mol. Formula:
C30H38BrFN2O5

M.W.:
605.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.38

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4282180

Name:
(1-(tert-butoxycarbonyl)piperidin-4-yl)methyl 2',7',7'-trimethyl-5'-oxo-1',Show More⌵

Mol. Formula:
C33H41N3O5

M.W.:
559.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
97.83

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS