Compounds

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2089302

Name:
Cyclopropanecarboxylic acid [3-({4-[4-(4'-chloro-biphenyl-2-ylmethyl)-piperShow More⌵

Mol. Formula:
C39H45ClN4O4S

M.W.:
701.33

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2089301

Name:
N-[3-({4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoylsulfamoyShow More⌵

Mol. Formula:
C39H47ClN4O4S

M.W.:
703.35

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2089300

Name:
N-[3-({4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoylsulfamoyShow More⌵

Mol. Formula:
C37H43ClN4O4S

M.W.:
675.30

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2089299

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-(3-phenyShow More⌵

Mol. Formula:
C41H44ClN3O3S

M.W.:
694.34

Type:
Small molecule

AlogP:
7.93

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2089298

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-(3-methyShow More⌵

Mol. Formula:
C36H42ClN3O3S

M.W.:
632.27

Type:
Small molecule

AlogP:
7.00

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2089297

Name:
C-(3-Bromo-adamantan-1-yl)-N-{4-[4-(4'-chloro-biphenyl-2-ylmethyl)-piperaziShow More⌵

Mol. Formula:
C35H39BrClN3O3S

M.W.:
697.14

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2089296

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-(3-fluorShow More⌵

Mol. Formula:
C35H39ClFN3O3S

M.W.:
636.23

Type:
Small molecule

AlogP:
6.70

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2089295

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-[3-(2-moShow More⌵

Mol. Formula:
C41H51ClN4O5S

M.W.:
747.40

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
91.42

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2089294

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-(3-hydroShow More⌵

Mol. Formula:
C35H40ClN3O4S

M.W.:
634.24

5 activity values

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
89.95

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2089293

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-tricycloShow More⌵

Mol. Formula:
C36H42ClN3O3S

M.W.:
632.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.00

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2089292

Name:
N-{4-[4-(4'-Chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-benzoyl}-C-(hexahydShow More⌵

Mol. Formula:
C34H38ClN3O3S

M.W.:
604.22

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2089291

Name:
N-(1-adamantylsulfamoyl)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1Show More⌵

Mol. Formula:
C34H39ClN4O3S

M.W.:
619.23

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
81.75

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2089290

Name:
C-Adamantan-1-yl-N-{4-[4-(4'-chloro-biphenyl-2-ylmethyl)-piperazin-1-yl]-beShow More⌵

Mol. Formula:
C35H40ClN3O3S

M.W.:
618.24

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2089289

Name:
2-Adamantan-1-yl-ethanesulfonic acid 4-[4-(4'-chloro-biphenyl-2-ylmethyl)-pShow More⌵

Mol. Formula:
C36H42ClN3O3S

M.W.:
632.27

Type:
Small molecule

AlogP:
7.00

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2089288

Name:
(+)-4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(((1R,2R,5R)-1,5Show More⌵

Mol. Formula:
C36H44ClN3O3S

M.W.:
634.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.24

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2089287

Name:
(-)-4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(((1S,2S,5S)-1,5Show More⌵

Mol. Formula:
C36H44ClN3O3S

M.W.:
634.29

Type:
Small molecule

AlogP:
7.24

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2089286

Name:
4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(((1S)-7,7-dimethyl-Show More⌵

Mol. Formula:
C34H38ClN3O4S

M.W.:
620.21

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
86.79

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2089285

Name:
4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(((1R)-7,7-dimethyl-Show More⌵

Mol. Formula:
C34H38ClN3O4S

M.W.:
620.21

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
86.79

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2089284

Name:
Adamantane-1-sulfonic acid 4-[4-(4'-chloro-biphenyl-2-ylmethyl)-piperazin-1Show More⌵

Mol. Formula:
C34H38ClN3O3S

M.W.:
604.22