Compounds

Type:
---

AlogP:
5.52

Polar Surface Area:
54.79

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5206275

Name:
N-(tert-butyl)-2-methyl-2-(1-oxo-9-phenyl-1H-pyrrolo[3,4-b]quinolin-2(3H)-yShow More⌵

Mol. Formula:
C25H27N3O2

M.W.:
401.51

Type:
---

AlogP:
4.55

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5205987

Name:
4-(9-methoxy-2-oxo-11-phenyl-3,5-dihydro-2H-imidazo[1',2':1,5]pyrrolo[3,4-bShow More⌵

Mol. Formula:
C27H18N4O2

M.W.:
430.47

Type:
---

AlogP:
4.63

Polar Surface Area:
78.58

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5203359

Name:
N-(tert-butyl)-2-(4-cyanophenyl)-2-(7-methoxy-1-oxo-9-phenyl-1H-pyrrolo[3,4Show More⌵

Mol. Formula:
C31H28N4O3

M.W.:
504.59

Type:
---

AlogP:
5.39

Polar Surface Area:
95.32

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5202176

Name:
N-(tert-butyl)-2-(7-methoxy-1-oxo-9-phenyl-1H-pyrrolo[3,4-b]quinolin-2(3H)-Show More⌵

Mol. Formula:
C26H29N3O3

M.W.:
431.54

Type:
---

AlogP:
4.56

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5201327

Name:
N-(tert-butyl)-2-(4-fluorophenyl)-2-(7-methoxy-1-oxo-9-phenyl-1H-pyrrolo[3,Show More⌵

Mol. Formula:
C30H28FN3O3

M.W.:
497.57

Type:
---

AlogP:
5.66

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5200773

Name:
9'-methoxy-11'-phenylspiro[cyclopentane-1,3'-imidazo[1',2':1,5]pyrrolo[3,4-Show More⌵

Mol. Formula:
C24H21N3O2

M.W.:
383.45

Type:
---

AlogP:
4.33

Polar Surface Area:
54.79

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5197948

Name:
2-(7-bromo-1-oxo-9-phenyl-3H-pyrrolo[3,4-b]quinolin-2-yl)-N-tert-butyl-2-meShow More⌵

Mol. Formula:
C25H26BrN3O2

M.W.:
480.41

Type:
---

AlogP:
5.31

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5197517

Name:
N-(tert-butyl)-2-(7-methoxy-9-methyl-1-oxo-1,3-dihydro-2H-pyrrolo[3,4-b]quiShow More⌵

Mol. Formula:
C21H27N3O3

M.W.:
369.47

Type:
---

AlogP:
3.20

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5194386

Name:
N-(tert-butyl)-2-(7-hydroxy-1-oxo-9-phenyl-1H-pyrrolo[3,4-b]quinolin-2(3H)-Show More⌵

Mol. Formula:
C25H27N3O3

M.W.:
417.51

Type:
---

AlogP:
4.26

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5193709

Name:
9-bromo-3,3-dimethyl-11-phenyl-3,5-dihydro-2H-imidazo[1',2':1,5]pyrrolo[3,4Show More⌵

Mol. Formula:
C21H16BrN3O

M.W.:
406.28

Type:
---

AlogP:
4.55

Polar Surface Area:
45.56

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5190990

Name:
N-(tert-butyl)-2-(7-methoxy-9-(4-methoxyphenyl)-1-oxo-1,3-dihydro-2H-pyrrolShow More⌵

Mol. Formula:
C27H31N3O4

M.W.:
461.56

33 activity values

5 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
80.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5185536

Name:
3-(4-chlorophenyl)-9-methoxy-11-phenyl-3,5-dihydro-2H-imidazo[1',2':1,5]pyrShow More⌵

Mol. Formula:
C26H18ClN3O2

M.W.:
439.90

Type:
---

AlogP:
5.41

Polar Surface Area:
54.79

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5182751

Name:
9'-methoxy-11'-phenylspiro[cyclohexane-1,3'-imidazo[1',2':1,5]pyrrolo[3,4-bShow More⌵

Mol. Formula:
C25H23N3O2

M.W.:
397.48

Type:
---

AlogP:
4.72

Polar Surface Area:
54.79

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5180926

Name:
N-(tert-butyl)-1-(7-methoxy-1-oxo-9-phenyl-1,3-dihydro-2H-pyrrolo[3,4-b]quiShow More⌵

Mol. Formula:
C29H33N3O3

M.W.:
471.60

Type:
---

AlogP:
5.48

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5179989

Name:
N-(tert-butyl)-2-(4-hydroxyphenyl)-2-(7-methoxy-1-oxo-9-phenyl-1H-pyrrolo[3Show More⌵

Mol. Formula:
C30H29N3O4

M.W.:
495.58

Type:
---

AlogP:
5.23

Polar Surface Area:
91.76

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5178894

Name:
2-(4-fluorophenyl)-2-(7-methoxy-1-oxo-9-phenyl-1,3-dihydro-2H-pyrrolo[3,4-bShow More⌵

Mol. Formula:
C26H20FN3O3

M.W.:
441.46

Type:
---

AlogP:
4.23

Polar Surface Area:
85.52

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5177851

Name:
N-(tert-butyl)-2-(7-methoxy-1-oxo-9-phenyl-1H-pyrrolo[3,4-b]quinolin-2(3H)-Show More⌵

Mol. Formula:
C31H28F3N3O3

M.W.:
547.58

Type:
---

AlogP:
6.54

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5177730

Name:
2-methyl-2-(1-oxo-9-phenyl-1H-pyrrolo[3,4-b]quinolin-2(3H)-yl)propanamide

Mol. Formula:
C21H19N3O2

M.W.:
345.40

Type:
---

AlogP:
3.12

Polar Surface Area:
76.29

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5177336

Name:
N-tert-butyl-2-(4-chlorophenyl)-2-(7-methoxy-1-oxo-9-phenyl-3H-pyrrolo[3,4-Show More⌵

Mol. Formula:
C30H28ClN3O3

M.W.:
514.03