Compounds

ALA3358283

Name:
(S,E)-2-(4-Methyl-3-(prop-1-enyl)benzamido)-3-(3'-(trifluoromethyl)biphenylShow More⌵

Mol. Formula:
C27H24F3NO3

M.W.:
467.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3358281

Name:
4-Methyl-N-((S)-1-oxo-1-((R)-pyrrolidin-3-ylamino)-3-(3'-(trifluoromethyl)bShow More⌵

Mol. Formula:
C31H32F3N3O2

M.W.:
535.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
70.23

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3358279

Name:
(S)-2-(5-Methyl-4-propylthiophene-2-carboxamido)-3-(3'-(trifluoromethyl)bipShow More⌵

Mol. Formula:
C25H24F3NO3S

M.W.:
475.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3358277

Name:
(S)-N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C29H34F3N3O2S

M.W.:
545.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
61.44

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3358275

Name:
(S)-N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C30H34F3N3O4

M.W.:
557.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

AZ82

Name:
5-Methyl-N-((R)-1-oxo-1-((R)-pyrrolidin-3-ylamino)-3-(6-(3-(trifluoromethoxShow More⌵

Mol. Formula:
C28H31F3N4O3S

M.W.:
560.64

18 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
92.35

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3358269

Name:
N-(3-(biphenyl-4-yl)-1-(2-(dimethylamino)ethylamino)-1-oxopropan-2-yl)-4-meShow More⌵

Mol. Formula:
C29H35N3O4

M.W.:
489.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3358268

Name:
N-(3-(3'-tert-butylbiphenyl-4-yl)-1-(2-(dimethylamino)ethylamino)-1-oxopropShow More⌵

Mol. Formula:
C33H43N3O4

M.W.:
545.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3358267

Name:
N-(1-(2-(dimethylamino)ethylamino)-3-(3'-isopropylbiphenyl-4-yl)-1-oxopropaShow More⌵

Mol. Formula:
C32H41N3O4

M.W.:
531.70

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3358266

Name:
N-(1-(2-(dimethylamino)ethylamino)-3-(3'-ethylbiphenyl-4-yl)-1-oxopropan-2-Show More⌵

Mol. Formula:
C31H39N3O4

M.W.:
517.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3358265

Name:
N-(1-(2-(dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethoxy)biphenyl-4Show More⌵

Mol. Formula:
C30H34F3N3O5

M.W.:
573.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3358264

Name:
N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyl-4-Show More⌵

Mol. Formula:
C31H36F3N3O2

M.W.:
539.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
61.44

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3358263

Name:
(E)-N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C31H34F3N3O2

M.W.:
537.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
61.44

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3358262

Name:
2-Cyclopropyl-N-(1-(2-(dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethShow More⌵

Mol. Formula:
C29H32F3N3O3

M.W.:
527.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
74.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3358261

Name:
rac-N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C29H34F3N3O2S

M.W.:
545.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
61.44

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3358260

Name:
N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyl-4-Show More⌵

Mol. Formula:
C29H32F3N3O3

M.W.:
527.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3358259

Name:
N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyl-4-Show More⌵

Mol. Formula:
C31H36F3N3O4

M.W.:
571.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3358258

Name:
N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyl-4-Show More⌵

Mol. Formula:
C30H34F3N3O4

M.W.:
557.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3358257

Name:
rac-N-(1-(2-(Dimethylamino)ethylamino)-1-oxo-3-(3'-(trifluoromethyl)biphenyShow More⌵

Mol. Formula:
C30H34F3N3O4

M.W.:
557.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3358256

Name:
2-(benzyloxy)-N-(1-(2-(dimethylamino)acetamido)-3-(3'-(trifluoromethyl)biphShow More⌵

Mol. Formula:
C34H34F3N3O3

M.W.:
589.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS