Compounds

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
108.34

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA514039

Name:
4'-(4-Bromophenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidine-Show More⌵

Mol. Formula:
C29H24BrN3O2

M.W.:
526.43

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA516074

Name:
4'-(4-Chlorophenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidineShow More⌵

Mol. Formula:
C29H24ClN3O2

M.W.:
481.98

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA475372

Name:
4'-(4-Methoxyphenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidinShow More⌵

Mol. Formula:
C30H27N3O3

M.W.:
477.56

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA514812

Name:
4'-(4-Methylphenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidineShow More⌵

Mol. Formula:
C30H27N3O2

M.W.:
461.57

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA516068

Name:
4'-Phenyl-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidine-2',3''-inShow More⌵

Mol. Formula:
C29H25N3O2

M.W.:
447.54

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
65.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA504415

Name:
1'-Methyl-4'-(4-nitrophenyl)-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2'-Show More⌵

Mol. Formula:
C33H25N3O4

M.W.:
527.58

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
96.31

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA520274

Name:
1'-Methyl-4'-(4-bromophenyl)-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2'-Show More⌵

Mol. Formula:
C33H25BrN2O2

M.W.:
561.48

Type:
Small molecule

AlogP:
7.02

Polar Surface Area:
53.17

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA481663

Name:
1'-Methyl-4'-(4-chlorophenyl)-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2'Show More⌵

Mol. Formula:
C33H25ClN2O2

M.W.:
517.03

Type:
Small molecule

AlogP:
6.91

Polar Surface Area:
53.17

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA521261

Name:
1'-Methyl-4'-(4-methoxyphenyl)-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2Show More⌵

Mol. Formula:
C34H28N2O3

M.W.:
512.61

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
62.40

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA481275

Name:
1'-Methyl-4'-(4-methylphenyl)-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2'Show More⌵

Mol. Formula:
C34H28N2O2

M.W.:
496.61

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
53.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA515860

Name:
1'-Methyl-4'-phenyl-4'',9''-dihydro-2Hdispiro[acenaphthylene-1,2'-pyrrolidiShow More⌵

Mol. Formula:
C33H26N2O2

M.W.:
482.58

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
53.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA481079

Name:
4'-(4-Nitrophenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidine-Show More⌵

Mol. Formula:
C30H23N3O5

M.W.:
505.53

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
113.38

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA470515

Name:
4'-(4-Bromophenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidine-Show More⌵

Mol. Formula:
C30H23BrN2O3

M.W.:
539.43

14 activity values

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
70.24

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA472597

Name:
4'-(4-Chlorophenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidineShow More⌵

Mol. Formula:
C30H23ClN2O3

M.W.:
494.98

14 activity values

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
70.24

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA515388

Name:
4'-(4-Methoxyphenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidinShow More⌵

Mol. Formula:
C31H26N2O4

M.W.:
490.56

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
79.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA473414

Name:
4'-(4-Methylphenyl)-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidineShow More⌵

Mol. Formula:
C31H26N2O3

M.W.:
474.56

13 activity values

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
70.24

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA514467

Name:
4'-Phenyl-1'-methyl-4,9-dihydrodispiro[carbazole-2,3'-pyrrolidine-2',2''-inShow More⌵

Mol. Formula:
C30H24N2O3

M.W.:
460.53

14 activity values