Compounds

ALA5272529

Name:
2,5-Bis(2-(((S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)eShow More⌵

Mol. Formula:
C36H50Br2N2O4

M.W.:
734.61

Type:
---

AlogP:
6.13

Polar Surface Area:
87.40

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5282690

Name:
(6s,6's)-6,6'--(1,4-phenylene)bis(ethane-2,1-diyl))bis(propylazanediyl)bis(Show More⌵

Mol. Formula:
C36H48N2O2

M.W.:
540.79

Type:
---

AlogP:
6.72

Polar Surface Area:
46.94

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5276671

Name:
(S)-6-((10-(((R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)Show More⌵

Mol. Formula:
C36H56N2O2

M.W.:
548.86

Type:
---

AlogP:
8.06

Polar Surface Area:
46.94

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5274131

Name:
(6s,6's)-6,6'-(piperazine-1,4-diyl)bis(ethane-2,1-diyl)bis(propylazanediyl)Show More⌵

Mol. Formula:
C34H52N4O2

M.W.:
548.82

Type:
---

AlogP:
4.55

Polar Surface Area:
53.42

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5283620

Name:
(R)-6-((4-(2-(((S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)aminShow More⌵

Mol. Formula:
C36H48N2O3

M.W.:
556.79

Type:
---

AlogP:
6.43

Polar Surface Area:
67.17

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5267221

Name:
(S)-6-((4-(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)aShow More⌵

Mol. Formula:
C33H46N4OS

M.W.:
546.83

Type:
---

AlogP:
6.05

Polar Surface Area:
65.62

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5266134

Name:
2,5-bis(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)aminShow More⌵

Mol. Formula:
C30H44N6O2S2

M.W.:
584.86

Type:
---

AlogP:
4.80

Polar Surface Area:
124.76

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5172469

Name:
(9R)-5-bromo-N,N-diethyl-4,7-dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]qShow More⌵

Mol. Formula:
C21H26BrN3O

M.W.:
416.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.68

Polar Surface Area:
28.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4800484

Name:
7-(3-(4-(Pyridin-2-yl)piperazin-1-yl)propoxy)-2-methyl-3,4-dihydroisoquinolShow More⌵

Mol. Formula:
C22H28N4O2

M.W.:
380.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
48.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4798573

Name:
N-[8-(4-Trifluoromethylbenzyl)(8-azabicyclo[3.2.1]oct-3beta-yl)]-2-naphthamShow More⌵

Mol. Formula:
C26H25F3N2O

M.W.:
438.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4798115

Name:
7-(3-(4-Phenylpiperazin-1-yl)propoxy)-2-methyl-3,4-dihydroisoquinolin-1(2H)Show More⌵

Mol. Formula:
C23H29N3O2

M.W.:
379.50

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4797306

Name:
6-(3-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methyl-2,3Show More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
439.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
68.04

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4795287

Name:
7-(3-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)propoxy)-2-methyl-3,Show More⌵

Mol. Formula:
C25H31N3O4

M.W.:
437.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4795213

Name:
7-(3-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-hydroxypropoxy)-2-Show More⌵

Mol. Formula:
C25H28FN3O4

M.W.:
453.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
79.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4794055

Name:
N-[8-(4-Fluorobenzyl)(8-azabicyclo[3.2.1]oct-3beta-yl)]-2-naphthamide

Mol. Formula:
C25H25FN2O

M.W.:
388.49

31 activity values

7 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4793624

Name:
N-(8-Benzyl-8-azabicyclo[3.2.1]oct-3beta-yl)-4-methoxyquinoline-2-carboxamiShow More⌵

Mol. Formula:
C25H27N3O2

M.W.:
401.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4792888

Name:
N-[8-(2-Trifluoromethylbenzyl)(8-azabicyclo[3.2.1]oct-3beta-yl)]-2-naphthamShow More⌵

Mol. Formula:
C26H25F3N2O

M.W.:
438.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4790565

Name:
7-(2-Fluoro-3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-2-mShow More⌵

Mol. Formula:
C25H27F2N3O3

M.W.:
455.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
58.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4789287

Name:
N-[8-(3-Trifluoromethylbenzyl)(8-azabicyclo[3.2.1]oct-3beta-yl)]-2-naphthamShow More⌵

Mol. Formula:
C26H25F3N2O

M.W.:
438.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4788843

Name:
N-[8-(4-Methoxybenzyl)(8-azabicyclo[3.2.1]oct-3beta-yl)]-2-naphthamide

Mol. Formula:
C26H28N2O2

M.W.:
400.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS