Compounds

ALA5271501

Name:
2-((1R,5S)-6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-en-2-yl)-5,7-dimethyl-1,3Show More⌵

Mol. Formula:
C19H26N2O2

M.W.:
314.43

Type:
---

AlogP:
1.71

Polar Surface Area:
40.62

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5270678

Name:
2-(2,6-dimethylhept-5-en-1-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one

Mol. Formula:
C19H32N2O

M.W.:
304.48

Type:
---

AlogP:
3.31

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5270269

Name:
(5R,7R,8R,10R,11R,11aS)-7-cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-5,7,8Show More⌵

Mol. Formula:
C19H23N3O4

M.W.:
357.41

Type:
---

AlogP:
0.63

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5281454

Name:
N-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-5,7-dimethyl-1Show More⌵

Mol. Formula:
C20H33N3

M.W.:
315.51

Type:
---

AlogP:
2.55

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280956

Name:
5,7-dimethyl-2-(((S)-2,2,3-trimethylcyclopent-3-en-1-yl)methyl)-1,3-diazaadShow More⌵

Mol. Formula:
C19H30N2O

M.W.:
302.46

Type:
---

AlogP:
2.92

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5279167

Name:
2-(6-hydroxy-2,6-dimethylheptyl)-5,7-dimethyl-1,3-diazaadamantan-6-one

Mol. Formula:
C19H34N2O2

M.W.:
322.49

Type:
---

AlogP:
2.51

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5285593

Name:
(3S,3aR,3a1S,5R,6R,8R,12bR)-9-(benzyloxy)-8-((benzyloxy)methyl)-10,12-dimetShow More⌵

Mol. Formula:
C35H38N4O5

M.W.:
594.71

Type:
---

AlogP:
4.30

Polar Surface Area:
96.29

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5285166

Name:
8-((5,7-dimethyl-1,3-diazaadamantan-6-yl)amino)-2,6-dimethyloctan-2-ol

Mol. Formula:
C20H39N3O

M.W.:
337.55

Type:
---

AlogP:
2.53

Polar Surface Area:
38.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5284005

Name:
5,7-dimethyl-1,3-diazaadamantan-6-amine

Mol. Formula:
C10H19N3

M.W.:
181.28

Type:
---

AlogP:
-0.07

Polar Surface Area:
32.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA5283724

Name:
2-(((1R,3R)-3-acetyl-2,2-dimethylcyclobutyl)methyl)-5,7-dimethyl-1,3-diazaaShow More⌵

Mol. Formula:
C19H30N2O2

M.W.:
318.46

Type:
---

AlogP:
2.18

Polar Surface Area:
40.62

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5282791

Name:
2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5,7-dimethyl-1,3-diazaShow More⌵

Mol. Formula:
C19H28N2O

M.W.:
300.45

Type:
---

AlogP:
2.53

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5290857

Name:
N-((Z)-3,7-dimethylocta-2,6-dien-1-yl)-5,7-dimethyl-1,3-diazaadamantan-6-amShow More⌵

Mol. Formula:
C20H35N3

M.W.:
317.52

Type:
---

AlogP:
3.25

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5290378

Name:
N-(3,7-dimethyloct-6-en-1-yl)-5,7-dimethyl-1,3-diazaadamantan-6-amine

Mol. Formula:
C20H37N3

M.W.:
319.54

Type:
---

AlogP:
3.33

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5267084

Name:
2-((Z)-2,6-dimethylhepta-1,5-dien-1-yl)-5,7-dimethyl-1,3-diazaadamantan-6-oShow More⌵

Mol. Formula:
C19H30N2O

M.W.:
302.46

Type:
---

AlogP:
3.23

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5171833

Name:
10-((5-(9H-carbazol-9-yl)pentyl)oxy)-9-methoxy-5,6-dihydro-[1,3]dioxolo[4,5Show More⌵

Mol. Formula:
C36H33ClN2O4

M.W.:
593.12

3 activity values

3 unique targets

Type:
---

AlogP:
7.31

Polar Surface Area:
45.73

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4876234

Name:
3-Isopropyl-7-methyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-cShow More⌵

Mol. Formula:
C23H33N3O3

M.W.:
399.54

6 activity values

5 unique targets

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
71.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4876016

Name:
7-Methyl-4-oxo-3-phenyl-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carbShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
71.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4873018

Name:
7-Methyl-4-oxo-3-(R)-phenyl-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]decane-6-carShow More⌵

Mol. Formula:
C26H33N3O3

M.W.:
435.57

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
71.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4871666

Name:
NA

Mol. Formula:
C25H29N3O4

M.W.:
435.52

6 activity values

5 unique targets

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
83.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4871350

Name:
(R)-3-Butyl-7-methyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-cShow More⌵

Mol. Formula:
C24H35N3O3

M.W.:
413.56

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
71.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS