Compounds

ALA4218221

Name:
5-(6-(5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-ylcarbamoyl)-2-(4-fluShow More⌵

Mol. Formula:
C32H27FN4O5

M.W.:
566.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
127.32

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4218012

Name:
rac-5-((4-(benzyloxycarbonyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinoShow More⌵

Mol. Formula:
C28H32N2O5

M.W.:
476.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4217656

Name:
2-(cyclopropyl((3aS,9R,9aR)-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,4,9,9a-hShow More⌵

Mol. Formula:
C31H27F3N2O5

M.W.:
564.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4217503

Name:
rac-4-((4-benzoyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl)(cyShow More⌵

Mol. Formula:
C26H28N2O4

M.W.:
432.52

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
77.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4217265

Name:
4-(cyclopropyl((3aS,9R,9aR)-7-ethyl-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,Show More⌵

Mol. Formula:
C29H31F3N2O5

M.W.:
544.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4217130

Name:
4-(((3aS,9R,9aR)-4-(benzyloxycarbonyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopentShow More⌵

Mol. Formula:
C28H32N2O5

M.W.:
476.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4216753

Name:
5-(6-(5-(4-fluorobenzyl)isoxazol-3-ylcarbamoyl)-2-(4-fluorophenyl)-1-oxo-1,Show More⌵

Mol. Formula:
C31H25F2N3O5

M.W.:
557.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
114.43

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4216735

Name:
4-(cyclopropyl((3aS,9R,9aR)-7-(difluoromethyl)-4-(4-(trifluoromethoxy)benzoShow More⌵

Mol. Formula:
C28H27F5N2O5

M.W.:
566.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4216012

Name:
4-(ethyl((3aS,9R,9aR)-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,4,9,9a-hexahydShow More⌵

Mol. Formula:
C26H27F3N2O5

M.W.:
504.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4215576

Name:
4-(cyclopropyl((2aS,8R,8aR)-3-(4-(trifluoromethoxy)benzoyl)-1,2,2a,3,8,8a-hShow More⌵

Mol. Formula:
C26H25F3N2O5

M.W.:
502.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4215461

Name:
4-(isopropyl((3aS,9R,9aR)-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,4,9,9a-hexShow More⌵

Mol. Formula:
C27H29F3N2O5

M.W.:
518.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4215049

Name:
4-(cyclopropyl((2aS,8R,8aR)-3-(3-(trifluoromethoxy)benzoyl)-1,2,2a,3,8,8a-hShow More⌵

Mol. Formula:
C26H25F3N2O5

M.W.:
502.49

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4214909

Name:
rac-4-((3-(benzyloxycarbonyl)-1,2,2a,3,8,8a-hexahydrocyclobuta[b]quinolin-8Show More⌵

Mol. Formula:
C26H28N2O5

M.W.:
448.52

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4214621

Name:
4-(cyclopropyl((3aS,9R,9aR)-4-(2-(4-fluorophenylamino)-2-oxoethyl)-2,3,3a,4Show More⌵

Mol. Formula:
C27H30FN3O4

M.W.:
479.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4214049

Name:
(R)-5-(6-(1-(4-fluorophenyl)ethylcarbamoyl)-1-oxo-1,2-dihydroisoquinolin-3-Show More⌵

Mol. Formula:
C23H23FN2O4

M.W.:
410.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
99.26

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4213820

Name:
5-(2-(4-fluorophenyl)-6-(5-(1-(4-fluorophenyl)ethyl)-1,2,4-oxadiazol-3-ylcaShow More⌵

Mol. Formula:
C31H26F2N4O5

M.W.:
572.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
127.32

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4213814

Name:
4-(cyclopropyl((3aS,9R,9aR)-7-cyclopropyl-4-(4-(trifluoromethoxy)benzoyl)-2Show More⌵

Mol. Formula:
C30H31F3N2O5

M.W.:
556.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4213284

Name:
5-(6-(5-(6-fluorobenzo[d]oxazol-2-yl)-5-methyl-4,5-dihydroisoxazol-3-ylcarbShow More⌵

Mol. Formula:
C32H26F2N4O6

M.W.:
600.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
136.02

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4213245

Name:
4-(cyclopropyl((3aS,9R,9aR)-4-(((S)-1-(4-fluorophenyl)ethoxy)carbonyl)-2,3,Show More⌵

Mol. Formula:
C28H31FN2O5

M.W.:
494.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4212838

Name:
4-(((3aS,9R,9aR)-6-chloro-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,4,9,9a-hexShow More⌵

Mol. Formula:
C27H26ClF3N2O5

M.W.:
550.96

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
87.15

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS