Compounds

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
66.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1088610

Name:
1-(4-(3-(benzo[d][1,3]dioxol-4-yl)acryloyl)piperaz
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Mol. Formula:
C32H34N2O4

M.W.:
510.63

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1088464

Name:
1-(4-(3-(benzo[d][1,3]dioxol-4-yl)allyl)piperazin-
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Mol. Formula:
C32H36N2O3

M.W.:
496.65

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1087275

Name:
1-(4-(3-(4-methoxyphenyl)acryloyl)piperazin-1-yl)-
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Mol. Formula:
C32H36N2O3

M.W.:
496.65

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1087779

Name:
1-(4-(3-(4-methoxyphenyl)allyl)piperazin-1-yl)-6,6
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Mol. Formula:
C32H38N2O2

M.W.:
482.67

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1087660

Name:
1-(4-cinnamylpiperazin-1-yl)-6,6-bis(4-fluoropheny
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Mol. Formula:
C31H34F2N2O

M.W.:
488.62

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1088309

Name:
1-(4-cinnamylpiperazin-1-yl)-6,6-diphenylhexan-1-o
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Mol. Formula:
C31H36N2O

M.W.:
452.64

6 activity values

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1088308

Name:
6,6-bis(4-fluorophenyl)-1-(4-(3,4,5-trimethoxybenz
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Mol. Formula:
C32H38F2N2O4

M.W.:
552.66

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1088174

Name:
6,6-bis(4-fluorophenyl)-1-(4-(3,4,5-trimethoxybenz
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Mol. Formula:
C32H36F2N2O5

M.W.:
566.65

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
68.31

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1086621

Name:
(4-(6,6-bis(4-fluorophenyl)hexyl)piperazin-1-yl)(3
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Mol. Formula:
C32H38F2N2O4

M.W.:
552.66

18 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1080461

Name:
1-(4-benzhydrylpiperazin-1-yl)-6,6-diphenylhexan-1
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Mol. Formula:
C35H38N2O

M.W.:
502.70

Type:
Small molecule

AlogP:
7.31

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1081366

Name:
1-(4-benzhydrylpiperazin-1-yl)-5,5-diphenylpentan-
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Mol. Formula:
C34H36N2O

M.W.:
488.68

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1081365

Name:
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1
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Mol. Formula:
C33H34N2O

M.W.:
474.65

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1081177

Name:
1-(4-benzhydrylpiperazin-1-yl)-2,2-diphenylethanon
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Cas Number:
48230-15-5

Mol. Formula:
C31H30N2O

M.W.:
446.59

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1081176

Name:
1-benzhydryl-4-(6,6-diphenylhexyl)piperazine

Mol. Formula:
C35H40N2

M.W.:
488.72

Type:
Small molecule

AlogP:
7.79

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1081175

Name:
1-benzhydryl-4-(5,5-diphenylpentyl)piperazine

Mol. Formula:
C34H38N2

M.W.:
474.69

Type:
Small molecule

AlogP:
7.40

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1081016

Name:
1-benzhydryl-4-(4,4-diphenylbutyl)piperazine

Mol. Formula:
C33H36N2

M.W.:
460.67

Type:
Small molecule

AlogP:
7.01

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1081018

Name:
1-benzhydryl-4-(3,3-diphenylpropyl)piperazine

Mol. Formula:
C32H34N2

M.W.:
446.64

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1080654

Name:
1-benzhydryl-4-(2,2-diphenylethyl)piperazine

Mol. Formula:
C31H32N2

M.W.:
432.61