Compounds

ALA147216

Name:
2-(2-Dimethylamino-ethyl)-8-iodo-dibenzo[de,h]isoq
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Mol. Formula:
C20H17IN2O2

M.W.:
444.27

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA147597

Name:
9-Amino-2-(2-dimethylamino-ethyl)-dibenzo[de,h]iso
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
66.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA145826

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro
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Mol. Formula:
C22H21N3O3

M.W.:
375.43

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA146101

Name:
10-Amino-2-(2-dimethylamino-ethyl)-dibenzo[de,h]is
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

18 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
66.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA148263

Name:
2-(2-Dimethylamino-ethyl)-11-nitro-dibenzo[de,h]is
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Mol. Formula:
C20H17N3O4

M.W.:
363.37

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
83.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA356939

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro
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Mol. Formula:
C25H27N3O3

M.W.:
417.51

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA145869

Name:
4-Amino-2-(2-dimethylamino-ethyl)-dibenzo[de,h]iso
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
66.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA148027

Name:
11-Amino-2-(2-dimethylamino-ethyl)-dibenzo[de,h]is
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
66.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA149619

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro
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Mol. Formula:
C22H21N3O3

M.W.:
375.43

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA148141

Name:
2-(2-Dimethylamino-ethyl)-8-nitro-dibenzo[de,h]iso
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Mol. Formula:
C20H17N3O4

M.W.:
363.37

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
83.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA146104

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro
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Mol. Formula:
C22H21N3O3

M.W.:
375.43

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA147668

Name:
11-Acetyl-2-(2-dimethylamino-ethyl)-dibenzo[de,h]i
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Mol. Formula:
C22H20N2O3

M.W.:
360.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
57.69

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA147556

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro
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Mol. Formula:
C25H27N3O3

M.W.:
417.51

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS