Compounds

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4797051

Name:
4-(1-(4-(4-(2-chlorophenyl)piperazin-1-yl)butyl)-1H-indol-3-yl)butanoic aciShow More⌵

Mol. Formula:
C26H32ClN3O2

M.W.:
454.01

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
48.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4796605

Name:
2-methyl-4,9-diphenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C25H32N2O2

M.W.:
392.54

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4792905

Name:
4-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-indol-3-yl)butanoic acShow More⌵

Mol. Formula:
C27H35N3O3

M.W.:
449.60

21 activity values

7 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4789005

Name:
(R)-4-cyclopropyl-2-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-oShow More⌵

Mol. Formula:
C20H28N2O2

M.W.:
328.46

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4788650

Name:
(R)-4-ethyl-9-(4-fluorophenethyl)-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecanShow More⌵

Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4788144

Name:
4-(1-(5-(4-(2-chlorophenyl)piperazin-1-yl)pentyl)-1H-indol-3-yl)butanoic acShow More⌵

Mol. Formula:
C27H34ClN3O2

M.W.:
468.04

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
48.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4785526

Name:
4-(1-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)-1H-indol-3-yl)butanoic aShow More⌵

Mol. Formula:
C28H37N3O3

M.W.:
463.62

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4777859

Name:
(R)-9-(2,4-difluorophenethyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undShow More⌵

Mol. Formula:
C19H26F2N2O2

M.W.:
352.43

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4776924

Name:
(R)-4-ethyl-9-(2-fluorophenethyl)-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecanShow More⌵

Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4762816

Name:
12-Methyl-8-phenethyl-4-oxa-8,12-diazadispiro[2.1.5.3]-tridecan-13-one

Mol. Formula:
C19H26N2O2

M.W.:
314.43

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4759184

Name:
4-isopropyl-2-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4756310

Name:
(R)-9-(2,6-difluorophenethyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undShow More⌵

Mol. Formula:
C19H26F2N2O2

M.W.:
352.43

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4755446

Name:
4-ethyl-2-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C19H28N2O2

M.W.:
316.45

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4755342

Name:
2-isopropyl-4-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4754130

Name:
(R)-4-ethyl-9-(3-fluorophenethyl)-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecanShow More⌵

Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4752386

Name:
(R)-2-ethyl-4-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C19H28N2O2

M.W.:
316.45

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4748898

Name:
4-benzyl-2-methyl-9-phenethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Mol. Formula:
C24H30N2O2

M.W.:
378.52

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4741494

Name:
(R)-4-Ethyl-2-methyl-9-phenethyl-1-oxa-4,9-diazaspiro-[5.5]undecan-3-one

Mol. Formula:
C19H28N2O2

M.W.:
316.45