Compounds

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
29.54

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4589888

Name:
(E)-3-(4-(3-(pyridin-3-yl)acryloyl)phenoxy)propylpyrrolidine-1-carbodithioaShow More⌵

Mol. Formula:
C22H24N2O2S2

M.W.:
412.58

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
42.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4587942

Name:
(E)-2-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)phenoxy)ethylpiperidine-1-carbShow More⌵

Mol. Formula:
C26H31NO5S2

M.W.:
501.67

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
57.23

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4581437

Name:
(E)-3-(4-(3-(3,5-difluorophenyl)acryloyl)phenoxy)propyl-4-methylpiperazine-Show More⌵

Mol. Formula:
C24H26F2N2O2S2

M.W.:
476.61

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
32.78

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4575486

Name:
(E)-2-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)ethylpiperidine-1-carbodithioaShow More⌵

Mol. Formula:
C23H24ClNO2S2

M.W.:
446.04

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4572106

Name:
(E)-3-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)propyl-4-methylpiperazine-1-caShow More⌵

Mol. Formula:
C24H27ClN2O2S2

M.W.:
475.08

Type:
Unknown

AlogP:
5.27

Polar Surface Area:
32.78

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4567975

Name:
(2'E)-1-(3,17beta-dihydroxy-1,3,5(10)-estratrienyl)-3'-(3''-chlorophenyl)prShow More⌵

Mol. Formula:
C27H29ClO3

M.W.:
436.98

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4566133

Name:
(E)-3-(4-(3-(3,5-dichlorophenyl)acryloyl)phenoxy)propyl-4-methylpiperazine-Show More⌵

Mol. Formula:
C24H26Cl2N2O2S2

M.W.:
509.52

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
32.78

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4566018

Name:
(E)-3-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)phenoxy)propyl-4-methylpiperazShow More⌵

Mol. Formula:
C27H34N2O5S2

M.W.:
530.71

26 activity values

4 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
60.47

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4559522

Name:
(E)-3-(4-(3-(3,5-difluorophenyl)acryloyl)phenoxy)propylpyrrolidine-1-carbodShow More⌵

Mol. Formula:
C23H23F2NO2S2

M.W.:
447.57

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4556053

Name:
(E)-3-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)phenoxy)propylpyrrolidine-1-caShow More⌵

Mol. Formula:
C26H31NO5S2

M.W.:
501.67

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
57.23

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4555661

Name:
(E)-3-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)propylpyrrolidine-1-carbodithiShow More⌵

Mol. Formula:
C23H24ClNO2S2

M.W.:
446.04

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4555356

Name:
(2'E)-1-(3,17beta-dihydroxy-1,3,5(10)-estratrienyl)-3'-(2'',4''-bichloropheShow More⌵

Mol. Formula:
C27H28Cl2O3

M.W.:
471.42

Type:
Unknown

AlogP:
6.81

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4554503

Name:
(E)-2-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)ethyl morpholine-4-carbodithioShow More⌵

Mol. Formula:
C22H22ClNO3S2

M.W.:
448.01

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
38.77

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4550270

Name:
(2'E)-1-(3,17beta-dihydroxy-1,3,5(10)-estratrienyl)-3'-(4''-benzyloxyphenylShow More⌵

Mol. Formula:
C34H36O4

M.W.:
508.66

9 activity values

9 unique targets

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4549246

Name:
(E)-3-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)propylpiperidine-1-carbodithioShow More⌵

Mol. Formula:
C24H26ClNO2S2

M.W.:
460.06

Type:
Unknown

AlogP:
6.51

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4548905

Name:
(E)-16-(3'-nitrobenzylidene)-3-hydroxy-2-methoxyestra-1,3,5(10)trien-17-one

Mol. Formula:
C26H27NO5

M.W.:
433.50

7 activity values

7 unique targets

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
89.67

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4546522

Name:
(2'E)-1-(3,17beta-dihydroxy-1,3,5(10)-estratrienyl)-3'-(2''-chlorophenyl)prShow More⌵

Mol. Formula:
C27H29ClO3

M.W.:
436.98

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4542948

Name:
(E)-16-(3',5'-difluorobenzylidene)-3-hydroxy-2-methoxyestra-1,3,5(10)trien-Show More⌵

Mol. Formula:
C26H26F2O3

M.W.:
424.49

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4538216

Name:
(E)-16-(2',4'-dichlorobenzylidene)-3-hydroxy-2-methoxyestra-1,3,5(10)trien-Show More⌵

Mol. Formula:
C26H26Cl2O3

M.W.:
457.40