Compounds

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA599829

Name:
3,3-diphenyl-1-(4-(phenyl(piperidin-4-yl)methyl)pi
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Mol. Formula:
C31H37N3O

M.W.:
467.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA599205

Name:
1-(4-((2,4-dimethylphenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C33H35N3O

M.W.:
489.66

Type:
Small molecule

AlogP:
6.38

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA599822

Name:
1-(4-((2,4-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C31H29Cl2N3O

M.W.:
530.50

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA599821

Name:
1-(4-((2,3-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C31H29Cl2N3O

M.W.:
530.50

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA605780

Name:
1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-y
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Mol. Formula:
C31H30ClN3O

M.W.:
496.05

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA598793

Name:
1-(4-((3-chlorophenyl)(phenyl)methyl)piperazin-1-y
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Mol. Formula:
C31H30ClN3O

M.W.:
496.05

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA598792

Name:
1-(4-((2-chlorophenyl)(phenyl)methyl)piperazin-1-y
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Mol. Formula:
C31H30ClN3O

M.W.:
496.05

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA597148

Name:
1-(4-benzhydrylpiperazin-1-yl)-2-(diphenylamino)et
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Mol. Formula:
C31H31N3O

M.W.:
461.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA596944

Name:
N-benzhydryl-4-((2,4-dimethylphenyl)(phenyl)methyl
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Mol. Formula:
C33H35N3O

M.W.:
489.66

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA597957

Name:
N-benzhydryl-4-((2,3-dichlorophenyl)(phenyl)methyl
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Mol. Formula:
C31H29Cl2N3O

M.W.:
530.50

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA597757

Name:
N-benzhydryl-4-((4-chlorophenyl)(phenyl)methyl)pip
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Mol. Formula:
C31H30ClN3O

M.W.:
496.05

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA599016

Name:
1-(4-((3,5-dimethoxyphenyl)(phenyl)methyl)piperazi
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Mol. Formula:
C34H36N2O3

M.W.:
520.67

3 activity values

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA599014

Name:
1-(4-((3,4-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C32H30Cl2N2O

M.W.:
529.51

5 activity values

Type:
Small molecule

AlogP:
7.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA599833

Name:
1-(4-((2,4-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C32H30Cl2N2O

M.W.:
529.51

6 activity values

Type:
Small molecule

AlogP:
7.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA599832

Name:
1-(4-((2,3-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C32H30Cl2N2O

M.W.:
529.51

5 activity values

Type:
Small molecule

AlogP:
7.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA604298

Name:
1-(4-((2,6-dichlorophenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C32H30Cl2N2O

M.W.:
529.51

Type:
Small molecule

AlogP:
7.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA598806

Name:
1-(4-((3,5-dichlorophenyl)(phenyl)methyl)piperazin
Show More⌵

Mol. Formula:
C32H30Cl2N2O

M.W.:
529.51

5 activity values