Compounds

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4800204

Name:
(E)-5-(4-((4-Methylpiperazin-1-yl)methyl)phenyl)-5-(4-nitrophenyl)-4-phenylShow More⌵

Mol. Formula:
C29H35Cl2N3O3

M.W.:
544.52

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
69.85

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4800141

Name:
(E)-4-(1-(4-(1-(2-(Dimethylamino)ethyl)-1H-1,2,3-triazol-4-yl)phenyl)-5-hydShow More⌵

Mol. Formula:
C29H33ClN4O2

M.W.:
505.06

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
74.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4799011

Name:
4-(1-(4-(1-cyclopropylpyrrolidin-3-yl)phenyl)-5-hydroxy-2-phenylpent-1-enylShow More⌵

Mol. Formula:
C30H34ClNO2

M.W.:
476.06

20 activity values

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4795846

Name:
4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-fluoro-2-phenylpent-1-enyl)pShow More⌵

Mol. Formula:
C31H35ClFNO

M.W.:
492.08

4 activity values

4 unique targets

Type:
Unknown

AlogP:
7.44

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4795473

Name:
(E)-N-(4-(5-Hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-en-1-yl)phenyl)-2-(pShow More⌵

Mol. Formula:
C30H35ClN2O3

M.W.:
507.07

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
72.80

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4794943

Name:
(E)-5-(4-(2,7-Diazaspiro[4.4]nonan-2-yl)phenyl)-5-(4-nitrophenyl)-4-phenylpShow More⌵

Mol. Formula:
C30H35Cl2N3O3

M.W.:
556.53

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
78.64

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4793939

Name:
(Z)-4-(5-Hydroxy-2-phenyl-1-(1-(2-(piperidin-1-yl)ethyl)-1H-indol-5-yl)pentShow More⌵

Mol. Formula:
C32H38Cl2N2O2

M.W.:
553.57

Type:
Unknown

AlogP:
6.56

Polar Surface Area:
48.63

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4793778

Name:
(E)-4-(5-Hydroxy-2-phenyl-1-(4-((2-(piperidin-1-yl)ethyl)-amino)phenyl)pentShow More⌵

Mol. Formula:
C30H38Cl2N2O2

M.W.:
529.55

Type:
Unknown

AlogP:
6.02

Polar Surface Area:
55.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4793134

Name:
N-(4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-enShow More⌵

Mol. Formula:
C33H39ClN2O2

M.W.:
531.14

1 activity values

Type:
Unknown

AlogP:
6.72

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4793030

Name:
3-(5-hydroxy-1-(4-(1-isopropyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-2-pheShow More⌵

Mol. Formula:
C31H36ClNO2

M.W.:
490.09

31 activity values

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4792390

Name:
(S,Z)-4-(5-Hydroxy-1-(4-(2-(1-methylpyrrolidin-2-yl)ethoxy)-phenyl)-2-phenyShow More⌵

Mol. Formula:
C30H36ClNO3

M.W.:
494.08

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4791981

Name:
(S,Z)-4-(5-Hydroxy-1-(4-((1-methylpyrrolidin-2-yl)methoxy)-phenyl)-2-phenylShow More⌵

Mol. Formula:
C29H34ClNO3

M.W.:
480.05

26 activity values

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4791571

Name:
(S,E)-5-(4-Bromophenyl)-5-(4-((1-methylpyrrolidin-2-yl)-methoxy)phenyl)-4-pShow More⌵

Mol. Formula:
C29H33BrClNO2

M.W.:
542.95

24 activity values

Type:
Unknown

AlogP:
6.65

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4790844

Name:
(E)-5-(4-Bromophenyl)-5-(4-(2-(1-methylpyrrolidin-2-yl)-ethoxy)phenyl)-4-phShow More⌵

Mol. Formula:
C30H35BrClNO2

M.W.:
556.97

14 activity values

11 unique targets

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4790063

Name:
(Z)-4-(5-Hydroxy-2-phenyl-1-(4-(2-(piperazin-1-yl)ethoxy)-phenyl)pent-1-en-Show More⌵

Mol. Formula:
C29H36Cl2N2O3

M.W.:
531.52

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
64.96

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4789561

Name:
(E)-N-(4-(5-Hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-en-1-yl)phenyl)pyrroShow More⌵

Mol. Formula:
C28H32Cl2N2O3

M.W.:
515.48

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
81.59

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4789507

Name:
(Z)-4-(5-Hydroxy-2-phenyl-1-(2-(2-(piperazin-1-yl)ethyl)-benzofuran-5-yl)peShow More⌵

Mol. Formula:
C31H36Cl2N2O3

M.W.:
555.55

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
68.87

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4788812

Name:
(E)-5-(4-(2-(Aziridin-1-yl)ethoxy)phenyl)-5-(4-bromophenyl)-4-phenylpent-4-Show More⌵

Mol. Formula:
C27H29BrClNO2

M.W.:
514.89

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
32.47

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4787886

Name:
3-(5-hydroxy-1-(4-(1-isopropylpyrrolidin-3-yl)phenyl)-2-phenylpent-1-enyl)pShow More⌵

Mol. Formula:
C30H36ClNO2

M.W.:
478.08