Compounds

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA599625

Name:
2-(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

ALA597775

Name:
2-(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

ALA597572

Name:
2-(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

ALA598598

Name:
2-(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

ALA598392

Name:
2-(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

ALA605965

Name:
2-(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

ALA599408

Name:
2-(4-benzhydrylpiperazin-1-yl)-N,N-diphenylacetami
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Cas Number:
866562-65-4

Mol. Formula:
C31H31N3O

M.W.:
461.61

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

ALA596942

Name:
N-benzhydryl-4-((2,4-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

ALA597756

Name:
N-benzhydryl-4-((3-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

ALA603465

Name:
N-benzhydryl-4-((2-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

ALA599015

Name:
1-(4-((2,4-dimethylphenyl)(phenyl)methyl)piperazin
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Mol. Formula:
C34H36N2O

M.W.:
488.68

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA589285

Name:
3,3-diphenyl-1-(4-(phenyl(3,4,5-trimethoxyphenyl)m
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Mol. Formula:
C35H38N2O4

M.W.:
550.70

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA598603

Name:
1-(4-(bis(4-methoxyphenyl)methyl)piperazin-1-yl)-3
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Mol. Formula:
C34H36N2O3

M.W.:
520.67

5 activity values

4 unique targets

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

ALA606175

Name:
1-(4-((4-methoxyphenyl)(phenyl)methyl)piperazin-1-
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Mol. Formula:
C33H34N2O2

M.W.:
490.65

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA597970

Name:
3,3-diphenyl-1-(4-(phenyl(p-tolyl)methyl)piperazin
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Mol. Formula:
C33H34N2O

M.W.:
474.65

Type:
Small molecule

AlogP:
6.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA597969

Name:
1-(4-((4-fluorophenyl)(phenyl)methyl)piperazin-1-y
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Mol. Formula:
C32H31FN2O

M.W.:
478.61

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA598990

Name:
3,3-diphenyl-1-(4-(phenyl(2-(trifluoromethyl)pheny
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Mol. Formula:
C33H31F3N2O

M.W.:
528.62