Compounds

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
70.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4649302

Name:
(E)-3-(4-(tert-Butyl)benzylidene)-6-((2-(diethylamino)ethyl)amino)-7-fluoroShow More⌵

Mol. Formula:
C28H35FN4O

M.W.:
462.61

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4649146

Name:
(E)-6-((2-(Diethylamino)ethyl)amino)-7-fluoro-3-(4-isobutylbenzylidene)-2,3Show More⌵

Mol. Formula:
C28H35FN4O

M.W.:
462.61

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4648936

Name:
(E)-7-((2-(Diethylamino)ethyl)amino)-6-fluoro-2-(4-isopropylstyryl)-3-methyShow More⌵

Mol. Formula:
C26H33FN4O

M.W.:
436.58

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4648845

Name:
(E)-N1-(3-(4-(tert-Butyl)benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinolin-Show More⌵

Mol. Formula:
C30H39N3

M.W.:
441.66

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4647563

Name:
(E)-7-((3-(Diethylamino)propyl)amino)-3-ethyl-6-fluoro-2-(4-isopropylstyrylShow More⌵

Mol. Formula:
C28H37FN4O

M.W.:
464.63

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4647503

Name:
(E)-7-((2-(Diethylamino)ethyl)amino)-6-fluoro-2-(2-hydroxy-4-isopropylstyryShow More⌵

Mol. Formula:
C26H33FN4O2

M.W.:
452.57

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
70.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4647093

Name:
(E)-6-((2-(Diethylamino)ethyl)amino)-3-(4-isopropylbenzylidene)-2,3-dihydroShow More⌵

Mol. Formula:
C27H34N4O

M.W.:
430.60

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4646986

Name:
(E)-6-((4-(Diethylamino)butyl)amino)-7-fluoro-3-(4-isopropylbenzylidene)-2,Show More⌵

Mol. Formula:
C29H37FN4O

M.W.:
476.64

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4646791

Name:
(E)-N-(2-((7-Fluoro-3-(4-isopropylbenzylidene)-9-oxo-1,2,3,9-tetrahydropyrrShow More⌵

Mol. Formula:
C25H27FN4O2

M.W.:
434.52

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
76.02

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4646602

Name:
(E)-6-((2-(Diethylamino)ethyl)amino)-3-(2,4-dihydroxybenzylidene)-7-fluoro-Show More⌵

Mol. Formula:
C24H27FN4O3

M.W.:
438.50

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
90.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4646290

Name:
(E)-N1,N1-Diethyl-N3-(3-(4-isopropylbenzylidene)-2,3-dihydro1H-cyclopenta[bShow More⌵

Mol. Formula:
C29H37N3

M.W.:
427.64

Type:
Unknown

AlogP:
6.99

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4645919

Name:
(E)-3-Ethyl-7-(ethylamino)-6-fluoro-2-(4-isopropylstyryl)quinazolin-4(3H)-oShow More⌵

Mol. Formula:
C23H26FN3O

M.W.:
379.48

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
46.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4645746

Name:
(E)-3-Benzylidene-6-((3-(diethylamino)propyl)amino)-7-fluoro-2,3-dihydropyrShow More⌵

Mol. Formula:
C25H29FN4O

M.W.:
420.53

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4645157

Name:
(E)-N1,N1-Diethyl-N3-(3-(4-ethylbenzylidene)-2,3-dihydro-1H-cyclopenta[b]quShow More⌵

Mol. Formula:
C28H35N3

M.W.:
413.61

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4644812

Name:
(E)-3-((2-(Diethylamino)ethyl)amino)-2-fluoro-6-(4-isopropylbenzylidene)-6,Show More⌵

Mol. Formula:
C28H35FN4O

M.W.:
462.61

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4644530

Name:
(E)-N1,N1-Diethyl-N3-(3-(4-isobutylbenzylidene)-2,3-dihydro-1H-cyclopenta[bShow More⌵

Mol. Formula:
C30H39N3

M.W.:
441.66

Type:
Unknown

AlogP:
7.06

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4644499

Name:
3-(4-(tert-Butyl)benzyl)-6-((2-(diethylamino)ethyl)amino)-7-fluoro-2,3-dihyShow More⌵

Mol. Formula:
C28H37FN4O

M.W.:
464.63

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4643090

Name:
6-((2-(Diethylamino)ethyl)amino)-3-(4-(dimethylamino)benzyl)-7-fluoro-2,3-dShow More⌵

Mol. Formula:
C26H34FN5O

M.W.:
451.59