Compounds

ALA2153433

Name:
1-Phenyl-4-(4-phenylbutyl)piperazine hydrochloride

Mol. Formula:
C20H27ClN2

M.W.:
330.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2153432

Name:
1-Phenyl-4-(3-phenylpropyl)piperazine hydrochloride

Mol. Formula:
C19H25ClN2

M.W.:
316.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2153431

Name:
1-Phenethyl-4-phenylpiperazine hydrochloride

Mol. Formula:
C18H23ClN2

M.W.:
302.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2153430

Name:
1-Benzyl-4-phenylpiperazine hydrochloride

Mol. Formula:
C17H21ClN2

M.W.:
288.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2153429

Name:
1-(3-Phenoxypropyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C19H25ClN2O

M.W.:
332.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2153428

Name:
1-(2-Phenoxyethyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C18H23ClN2O

M.W.:
318.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2153427

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(4-methoxyphenyl)piperazine hydrochShow More⌵

Mol. Formula:
C20H25ClN2O3

M.W.:
376.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2153426

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(4-chlorophenyl)piperazine hydrochlShow More⌵

Mol. Formula:
C19H22Cl2N2O2

M.W.:
381.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2153425

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(4-fluorophenyl)piperazine hydrochlShow More⌵

Mol. Formula:
C19H22ClFN2O2

M.W.:
364.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2153424

Name:
1-(3-(Benzo[d][1,3]dioxol-5-yl)propyl)-4-(2-methoxyphenyl)piperazine hydrocShow More⌵

Mol. Formula:
C21H27ClN2O3

M.W.:
390.91

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2153423

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-methoxyphenyl)piperazine hydrochShow More⌵

Mol. Formula:
C20H25ClN2O3

M.W.:
376.88

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2153422

Name:
1-(4-(Benzo[d][1,3]dioxol-5-yl)butyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C21H27ClN2O2

M.W.:
374.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2153421

Name:
1-(3-(Benzo[d][1,3]dioxol-5-yl)propyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C20H25ClN2O2

M.W.:
360.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2153420

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C19H23ClN2O2

M.W.:
346.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2153419

Name:
1-((Benzo[d][1,3]dioxol-5-yl)methyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C18H21ClN2O2

M.W.:
332.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2153418

Name:
1-(3-(Benzo[d][1,3]dioxol-5-yloxy)propyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C20H25ClN2O3

M.W.:
376.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2153417

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yloxy)ethyl)-4-phenylpiperazine hydrochloride

Mol. Formula:
C19H23ClN2O3

M.W.:
362.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA90746

Name:
2-[3-(4-Biphenyl-2-yl-piperazin-1-yl)-propylamino]-N,N-dimethyl-nicotinamidShow More⌵

Mol. Formula:
C27H33N5O

M.W.:
443.60

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
51.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA327168

Name:
N,N-Dimethyl-2-{3-[4-(2-oxazol-2-yl-phenyl)-piperazin-1-yl]-propylamino}-niShow More⌵

Mol. Formula:
C24H30N6O2

M.W.:
434.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
77.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA91036

Name:
N,N-Dimethyl-2-{3-[4-(2-trifluoromethoxy-phenyl)-piperazin-1-yl]-propylaminShow More⌵

Mol. Formula:
C22H28F3N5O2

M.W.:
451.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
60.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS