Compounds

ALA5278812

Name:
2-methoxy-5-(3-methoxybenzoyl)phenyl(((2R,5S)-5-(5-methyl-2,4-dioxo-3,4-dihShow More⌵

Mol. Formula:
C29H28N2O10

M.W.:
564.55

Type:
---

AlogP:
2.48

Polar Surface Area:
152.22

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5209012

Name:
divergolide V

Mol. Formula:
C31H37NO7

M.W.:
535.64

1 activity values

1 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
130.00

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5203349

Name:
divergolide T

Mol. Formula:
C31H37NO7

M.W.:
535.64

1 activity values

1 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
130.00

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5197653

Name:
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)thiazol-2-amine

Mol. Formula:
C18H18N2O3S

M.W.:
342.42

6 activity values

4 unique targets

Type:
---

AlogP:
4.58

Polar Surface Area:
52.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5094503

Name:
14-(4-fluorophenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quiShow More⌵

Mol. Formula:
C24H18FN3O

M.W.:
383.43

13 activity values

10 unique targets

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5090109

Name:
14-Phenyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(1Show More⌵

Mol. Formula:
C24H19N3O

M.W.:
365.44

10 activity values

8 unique targets

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5089958

Name:
10-Chloro-14-(3-fluorophenyl)-3-methyl-8,13,13b,14-tetrahydroindolo[2',3':3Show More⌵

Mol. Formula:
C25H19ClFN3O

M.W.:
431.90

8 activity values

5 unique targets

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5089863

Name:
14-(3-chlorophenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quiShow More⌵

Mol. Formula:
C24H18ClN3O

M.W.:
399.88

13 activity values

10 unique targets

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5089779

Name:
14-(3-(trifluoromethyl)phenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyridShow More⌵

Mol. Formula:
C25H18F3N3O

M.W.:
433.43

11 activity values

9 unique targets

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5089162

Name:
14-(3-fluorophenyl)-3-methyl-8,13,13b,14-tetrahydroindolo[2',3.:3,4]pyrido[Show More⌵

Mol. Formula:
C25H20FN3O

M.W.:
397.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5088943

Name:
14-(2-fluorophenyl)-8,13,13b,14-tetrahydroindolo[2',3:3,4]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C24H18FN3O

M.W.:
383.43

11 activity values

9 unique targets

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5088009

Name:
14-(3-fluorophenyl)-3-methoxy-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyridoShow More⌵

Mol. Formula:
C25H20FN3O2

M.W.:
413.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
48.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5085517

Name:
14-(m-tolyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolinShow More⌵

Mol. Formula:
C25H21N3O

M.W.:
379.46

11 activity values

9 unique targets

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5085481

Name:
3-Chloro-14-(3-fluorophenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[Show More⌵

Mol. Formula:
C24H17ClFN3O

M.W.:
417.87

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5084381

Name:
14-(3-fluorophenyl)-10-methoxy-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyridShow More⌵

Mol. Formula:
C25H20FN3O2

M.W.:
413.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
48.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5083769

Name:
14-(3-fluorophenyl)-10-methoxy-3-methyl-8,13,13b,14-tetrahydroindolo[2',3':Show More⌵

Mol. Formula:
C26H22FN3O2

M.W.:
427.48

8 activity values

5 unique targets

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
48.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5082035

Name:
14-(3-fluorophenyl)-2-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[Show More⌵

Mol. Formula:
C25H20FN3O

M.W.:
397.45

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5079574

Name:
14-(3-bromophenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C24H18BrN3O

M.W.:
444.33

13 activity values

10 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5079362

Name:
14-(3-fluorophenyl)-3-iodo-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,Show More⌵

Mol. Formula:
C24H17FIN3O

M.W.:
509.32

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5079227

Name:
10-Chloro-14-(3-fluorophenyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyridoShow More⌵

Mol. Formula:
C24H17ClFN3O

M.W.:
417.87

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS