Compounds

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
84.22

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4579162

Name:
(+/-)-N-(6,7-dichloro-2,3-dihydro-1-benzothiophen-3-yl)-N-(2-(dimethylaminoShow More⌵

Mol. Formula:
C28H27Cl2FN4O2S

M.W.:
573.52

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4549646

Name:
(+)-N-[7-chloro-1,1-dioxido-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophenShow More⌵

Mol. Formula:
C29H27ClF4N4O4S

M.W.:
639.07

Type:
Unknown

AlogP:
5.66

Polar Surface Area:
84.22

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4515745

Name:
(+/-)-N-(6,7-dichloro-1,1-dioxido-2,3-dihydro-1-benzothiophen-3-yl)-N-[2-(dShow More⌵

Mol. Formula:
C28H27Cl2FN4O4S

M.W.:
605.52

7 activity values

4 unique targets

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
84.22

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4483703

Name:
(+/-)-N-(6,7-dichloro-2,3-dihydro-1H-indol-3-yl)-N-(2-(dimethylamino)ethyl)Show More⌵

Mol. Formula:
C28H28Cl2FN5O2

M.W.:
556.47

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
62.11

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4470356

Name:
(+)-N-[2-(dimethylamino)ethyl]-N-[7-fluoro-1,1-dioxido-6-(trifluoromethyl)-Show More⌵

Mol. Formula:
C29H27F5N4O4S

M.W.:
622.62

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
84.22

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4468555

Name:
(+)-N-[7-cyano-1,1-dioxido-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-Show More⌵

Mol. Formula:
C30H27F4N5O4S

M.W.:
629.64

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
108.01

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4466617

Name:
(+/-)-N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-N-(2-(dimethylamino)ethyl)Show More⌵

Mol. Formula:
C29H29Cl2FN4O2

M.W.:
555.48

Type:
Unknown

AlogP:
6.46

Polar Surface Area:
50.08

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2413146

Name:
5-Bromo-N-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenylShow More⌵

Mol. Formula:
C25H22BrCl2FN4O

M.W.:
564.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
40.85

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2413145

Name:
3-Cyano-N-(3,4-dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-(4-fluorophenylShow More⌵

Mol. Formula:
C25H21Cl2FN4OS

M.W.:
515.44

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
52.27

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2413144

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-(4-fluorophenyl)-3-(triShow More⌵

Mol. Formula:
C25H21Cl2F4N3OS

M.W.:
558.43

Type:
Small molecule

AlogP:
7.36

Polar Surface Area:
28.48

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2413143

Name:
3-Chloro-N-(3,4-dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-(4-fluorophenyShow More⌵

Mol. Formula:
C24H21Cl3FN3OS

M.W.:
524.88

Type:
Small molecule

AlogP:
7.00

Polar Surface Area:
28.48

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2413141

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-(4-fluorophenyl)-3-methShow More⌵

Mol. Formula:
C25H24Cl2FN3OS

M.W.:
504.46

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
28.48

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2413140

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-(4-fluorophenyl)-4H-thiShow More⌵

Mol. Formula:
C24H22Cl2FN3OS

M.W.:
490.43

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
28.48

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2413139

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-1-(4-fluorophenyl)-3-methShow More⌵

Mol. Formula:
C27H26Cl2FN3O

M.W.:
498.43

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
28.48

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2413138

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-3-(4-fluorophenyl)-1-methShow More⌵

Mol. Formula:
C27H26Cl2FN3O

M.W.:
498.43

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
28.48

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2413137

Name:
N-(3,4-Dichlorobenzyl)-N-(2-(dimethylamino)ethyl)-7-(4-fluorophenyl)-5-methShow More⌵

Mol. Formula:
C26H24Cl2FN3O2S

M.W.:
532.47

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
45.55

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2413136

Name:
N-(3,4-Dichlorobenzyl)-5-(3-(dimethylamino)propyl)-7-(4-fluorophenyl)-N-metShow More⌵

Mol. Formula:
C27H26Cl2FN3O2S

M.W.:
546.50

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
45.55

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2413135

Name:
N-(3,4-Dichlorobenzyl)-5-(2-(dimethylamino)ethyl)-7-(4-fluorophenyl)-N-methShow More⌵

Mol. Formula:
C26H24Cl2FN3O2S

M.W.:
532.47

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
45.55

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2413134

Name:
N-(3,4-Dichlorobenzyl)-7-(4-fluorophenyl)-5-(2-hydroxyethyl)-N-methyl-4-oxoShow More⌵

Mol. Formula:
C24H19Cl2FN2O3S

M.W.:
505.40