Compounds

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
73.47

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2403024

Name:
N-(4-(4-(2-(diethylamino)-2-oxo-1-phenylethyl)piperidin-1-yl)-3-fluorophenyShow More⌵

Mol. Formula:
C29H35FN4O3

M.W.:
506.62

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
78.68

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2402906

Name:
N-(4-(4-(2-(ethylamino)-2-oxo-1-phenylethyl)piperidin-1-yl)-3-fluorophenyl)Show More⌵

Mol. Formula:
C33H33FN4O2

M.W.:
536.65

2 activity values

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
74.33

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2402905

Name:
N-(4-(4-(2-(ethylamino)-2-oxo-1-phenylethyl)piperidin-1-yl)-3-fluorophenyl)Show More⌵

Mol. Formula:
C34H34FN3O2

M.W.:
535.66

2 activity values

Type:
Small molecule

AlogP:
6.88

Polar Surface Area:
61.44

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2146489

Name:
(S)-N-(2-(4-fluorobenzylamino)-2-oxo-1-phenylethyl)-2-(4'-isopropoxybiphenyShow More⌵

Mol. Formula:
C41H35FN4O4

M.W.:
666.75

Type:
Small molecule

AlogP:
7.87

Polar Surface Area:
109.42

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2147300

Name:
2-(2'-(6-((S)-2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethylcarbamoyShow More⌵

Mol. Formula:
C42H35FN4O6

M.W.:
710.76

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
137.93

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2147294

Name:
(S)-N-(2-(4-fluorobenzylamino)-2-oxo-1-phenylethyl)-2-(4'-(1-hydroxy-2-methShow More⌵

Mol. Formula:
C42H37FN4O4

M.W.:
680.78

Type:
Small molecule

AlogP:
7.35

Polar Surface Area:
120.42

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2147291

Name:
(S)-2-(4'-tert-butoxybiphenyl-2-ylcarboxamido)-N-(2-((4-fluorobenzyl)(methyShow More⌵

Mol. Formula:
C43H39FN4O4

M.W.:
694.81

7 activity values

Type:
Small molecule

AlogP:
8.60

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2147289

Name:
(S)-2-(4'-ethoxybiphenyl-2-ylcarboxamido)-N-(2-((4-fluorobenzyl)(methyl)amiShow More⌵

Mol. Formula:
C41H35FN4O4

M.W.:
666.75

Type:
Small molecule

AlogP:
7.82

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2147288

Name:
(S)-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethyl)-2-(4'-methoxyShow More⌵

Mol. Formula:
C40H33FN4O4

M.W.:
652.73

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2147287

Name:
(S)-2-(4'-tert-butylbiphenyl-2-ylcarboxamido)-N-(2-((4-fluorobenzyl)(methylShow More⌵

Mol. Formula:
C43H39FN4O3

M.W.:
678.81

66 activity values

4 unique targets

Type:
Small molecule

AlogP:
8.72

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2147286

Name:
(S)-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethyl)-2-(4'-isopropShow More⌵

Mol. Formula:
C42H37FN4O3

M.W.:
664.78

Type:
Small molecule

AlogP:
8.55

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2147285

Name:
(S)-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethyl)-2-(4'-propylbShow More⌵

Mol. Formula:
C42H37FN4O3

M.W.:
664.78

Type:
Small molecule

AlogP:
8.38

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2147284

Name:
(S)-2-(4'-ethylbiphenyl-2-ylcarboxamido)-N-(2-((4-fluorobenzyl)(methyl)aminShow More⌵

Mol. Formula:
C41H35FN4O3

M.W.:
650.75

Type:
Small molecule

AlogP:
7.99

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2147283

Name:
(S)-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethyl)-2-(4'-methylbShow More⌵

Mol. Formula:
C40H33FN4O3

M.W.:
636.73

Type:
Small molecule

AlogP:
7.73

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2147282

Name:
(S)-2-biphenyl-2-ylcarboxamido-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1Show More⌵

Mol. Formula:
C39H31FN4O3

M.W.:
622.70

Type:
Small molecule

AlogP:
7.42

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2147281

Name:
(S)-N-(2-((4-fluorobenzyl)(methyl)amino)-2-oxo-1-phenylethyl)-2-(4'-(trifluShow More⌵

Mol. Formula:
C40H30F4N4O3

M.W.:
690.70

Type:
Small molecule

AlogP:
8.44

Polar Surface Area:
91.40

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2147280

Name:
(S)-N-(2-amino-2-oxo-1-phenylethyl)-1-methyl-5-(4'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C32H25F3N4O3

M.W.:
570.57

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
106.22

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2147279

Name:
(S)-1-methyl-N-(2-(methylamino)-2-oxo-1-phenylethyl)-5-(4'-(trifluoromethylShow More⌵

Mol. Formula:
C33H27F3N4O3

M.W.:
584.60

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
92.23

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA474892

Name:
(R)-6-methyl-N-(2-(thiazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(Show More⌵

Mol. Formula:
C28H24F3N3OS

M.W.:
507.58