Compounds

ALA5198312

Name:
trans-2-(4-(3-(4-bromophenyl)propyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5196435

Name:
trans-2-(4-(2-(3-bromophenyl)ethyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C17H25BrN2O

M.W.:
353.30

2 activity values

2 unique targets

Type:
---

AlogP:
2.52

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5203770

Name:
trans-2-(4-(2-(4-bromophenyl)ethyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C17H25BrN2O

M.W.:
353.30

2 activity values

2 unique targets

Type:
---

AlogP:
2.52

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5195262

Name:
trans-2-(4-(2-(2-bromophenyl)ethyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C17H25BrN2O

M.W.:
353.30

2 activity values

2 unique targets

Type:
---

AlogP:
2.52

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5194064

Name:
trans-2-(4-(3-(3-bromophenyl)propyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5191856

Name:
trans-2-(4-(3-(2-bromophenyl)propyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C19H29BrN2O

M.W.:
381.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.30

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5186452

Name:
trans-2-(4-(2-(4-bromophenyl)ethyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5183643

Name:
trans-2-(4-(3-(2-bromophenyl)propyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5176294

Name:
trans-2-(4-(3-(3-iodophenyl)propyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C18H27IN2O

M.W.:
414.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.75

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5173926

Name:
trans-2-(4-(2-(3-iodophenyl)ethyl)piperazin-1-yl)cyclopentan-1-ol

Mol. Formula:
C17H25IN2O

M.W.:
400.30

2 activity values

2 unique targets

Type:
---

AlogP:
2.36

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5173504

Name:
trans-2-(4-(3-(4-bromophenyl)propyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C19H29BrN2O

M.W.:
381.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.30

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5172461

Name:
trans-2-(4-(2-(3-bromophenyl)ethyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5171607

Name:
trans-2-(4-(3-(3-bromophenyl)propyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C19H29BrN2O

M.W.:
381.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.30

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5171303

Name:
trans-2-(4-(2-(2-bromophenyl)ethyl)piperazin-1-yl)cyclohexan-1-ol

Mol. Formula:
C18H27BrN2O

M.W.:
367.33

2 activity values

2 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4796879

Name:
(1-(4-fluorobenzyl)piperidin-4-yl)(4-fluorophenyl)methanol

Mol. Formula:
C19H21F2NO

M.W.:
317.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4763051

Name:
(1-(4-bromobenzyl)piperidin-4-yl)(4-fluorophenyl)methanone

Mol. Formula:
C19H19BrFNO

M.W.:
376.27

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4760729

Name:
N-(3-bromobenzyl)-1-(1-(4-bromobenzyl)piperidin-4-yl)-1-(4-fluorophenyl)metShow More⌵

Mol. Formula:
C26H27Br2FN2

M.W.:
546.32

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.09

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4744344

Name:
(4-fluorophenyl)(1-(4-methylbenzyl)piperidin-4-yl)methanol

Mol. Formula:
C20H24FNO

M.W.:
313.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4593797

Name:
N-(Cyclopropylmethyl)-2-((5-((3-fluorophenoxy)methyl)-isoxazol-3-yl)oxy)-N-Show More⌵

Mol. Formula:
C17H22ClFN2O3

M.W.:
356.83

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
47.73

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4593707

Name:
4-(2-((5-(Phenoxymethyl)isoxazol-3-yl)oxy)ethyl)-morpholine Hydrochloride

Mol. Formula:
C16H21ClN2O4

M.W.:
340.81

3 activity values

2 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
56.96

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS