Compounds

ALA4790821

Name:
6-Bromo-3-methyl-N-[2-(pyridin-3-yl)ethyl]-2-(2-thienyl)quinoline-4-carboxaShow More⌵

Mol. Formula:
C22H18BrN3OS

M.W.:
452.38

14 activity values

8 unique targets

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4572891

Name:
(2S,3R)-3-cyclopropyl-3-(3-((R)-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1HShow More⌵

Mol. Formula:
C29H29FO4

M.W.:
460.55

52 activity values

16 unique targets

Type:
Unknown

AlogP:
6.78

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4101549

Name:
N-tert-butyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-phenylacetamide

Mol. Formula:
C21H26N2O

M.W.:
322.45

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4077193

Name:
(R)-2-((1-(tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-1,2,3,4-tetrahydroiShow More⌵

Mol. Formula:
C21H25N5

M.W.:
347.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
46.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4061744

Name:
2-(2-(((1r,4r)-4-(((4-chlorophenyl)(4-hydroxyphenyl)carbamoyloxy)methyl)cycShow More⌵

Mol. Formula:
C25H31ClN2O8S

M.W.:
555.05

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
142.47

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4060608

Name:
(S)-2-((1-(tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-1,2,3,4-tetrahydroiShow More⌵

Mol. Formula:
C21H25N5

M.W.:
347.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
46.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3985726

Name:
2-(((trans)-4-(((3-fluoro-4-methylphenyl)(phenyl)carbamoyloxy)methyl)cyclohShow More⌵

Mol. Formula:
C24H28FNO5

M.W.:
429.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3984010

Name:
2-(((trans)-4-(((3,5-difluorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)Show More⌵

Mol. Formula:
C23H25F2NO5

M.W.:
433.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3983767

Name:
2-(((trans)-4-(((3-fluorophenyl)(4-fluorophenyl)carbamoyloxy)methyl)cycloheShow More⌵

Mol. Formula:
C23H25F2NO5

M.W.:
433.45

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3983200

Name:
2-(((trans)-4-(((3-fluorophenyl)(pyridin-3-yl)carbamoyloxy)methyl)cyclohexyShow More⌵

Mol. Formula:
C22H25FN2O5

M.W.:
416.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
88.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3982288

Name:
2-(((trans)-4-(((3-fluoro-4-methylphenyl)(3-fluorophenyl)carbamoyloxy)methyShow More⌵

Mol. Formula:
C24H27F2NO5

M.W.:
447.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3981509

Name:
2-(((trans)-4-(((3,4-difluorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)Show More⌵

Mol. Formula:
C23H25F2NO5

M.W.:
433.45

20 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3981484

Name:
2-(((trans)-4-(((3-chloro-5-fluorophenyl)(phenyl)carbamoyloxy)methyl)cyclohShow More⌵

Mol. Formula:
C23H25ClFNO5

M.W.:
449.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3980758

Name:
2-(((trans)-4-(((3-fluorophenyl)(3-(trifluoromethoxy)phenyl)carbamoyloxy)meShow More⌵

Mol. Formula:
C24H25F4NO6

M.W.:
499.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
85.30

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3979096

Name:
2-(((trans)-4-((3-(3-chloro-2-fluorophenyl)-3-phenylureido)methyl)cyclohexyShow More⌵

Mol. Formula:
C23H26ClFN2O4

M.W.:
448.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3977559

Name:
2-(((trans)-4-((3-(4-chloro-3-fluorophenyl)-3-phenylureido)methyl)cyclohexyShow More⌵

Mol. Formula:
C23H26ClFN2O4

M.W.:
448.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3977415

Name:
2-(((trans)-4-(((4-fluorophenyl)(4-(trifluoromethoxy)phenyl)carbamoyloxy)meShow More⌵

Mol. Formula:
C24H25F4NO6

M.W.:
499.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
85.30

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3976286

Name:
2-(((trans)-4-((bis(3-fluorophenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)aShow More⌵

Mol. Formula:
C23H25F2NO5

M.W.:
433.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3975307

Name:
2-(((trans)-4-((phenyl(5-(trifluoromethyl)pyridin-2-yl)carbamoyloxy)methyl)Show More⌵

Mol. Formula:
C23H25F3N2O5

M.W.:
466.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
88.96

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3975122

Name:
2-(((trans)-4-(((4-fluorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methShow More⌵

Mol. Formula:
C23H26FNO5

M.W.:
415.46

20 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS