Compounds

ALA2093011

Name:
(R)-2-Dipropylamino-indan-4-ol

Mol. Formula:
C15H23NO

M.W.:
233.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1907934

Name:
(S)-2-Dipropylamino-indan-4-ol

Mol. Formula:
C15H23NO

M.W.:
233.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA435234

Name:
1-Methyl-4-phenethyl-piperazine

Mol. Formula:
C13H20N2

M.W.:
204.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA414453

Name:
1-[3-(2-Chloro-phenyl)-propyl]-4-methyl-piperazine

Mol. Formula:
C14H21ClN2

M.W.:
252.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA161650

Name:
1-[2-(2-Chloro-phenyl)-ethyl]-4-methyl-piperazine

Mol. Formula:
C13H19ClN2

M.W.:
238.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA162645

Name:
1-Methyl-4-[4-(3-trifluoromethyl-phenyl)-but-3-eny
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Mol. Formula:
C16H21F3N2

M.W.:
298.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA350548

Name:
[3-(3-Methoxy-phenyl)-propyl]-dimethyl-amine

Mol. Formula:
C12H19NO

M.W.:
193.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA161545

Name:
1-Methyl-4-[4-(3-trifluoromethyl-phenyl)-but-3-eny
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Mol. Formula:
C16H21F3N2

M.W.:
298.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA347254

Name:
1-Methyl-4-(3-phenoxy-propyl)-piperazine

Mol. Formula:
C14H22N2O

M.W.:
234.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA159175

Name:
[3-(4-Methyl-piperazin-1-yl)-propyl]-phenyl-amine

Mol. Formula:
C14H23N3

M.W.:
233.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA351230

Name:
1-Methyl-4-(3-phenyl-propyl)-piperazine

Mol. Formula:
C14H22N2

M.W.:
218.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA161228

Name:
(3-Chloro-phenyl)-[3-(4-methyl-piperazin-1-yl)-pro
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Mol. Formula:
C14H22ClN3

M.W.:
267.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA423974

Name:
1-[3-(3-Chloro-phenoxy)-propyl]-4-methyl-piperazin
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Mol. Formula:
C14H21ClN2O

M.W.:
268.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA130955

Name:
2-tert-Butyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-p
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Cas Number:
69663-48-5

Mol. Formula:
C23H29NO

M.W.:
335.49

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA39845

Name:
3-(2-Dipropylamino-ethyl)-phenol

Mol. Formula:
C14H23NO

M.W.:
221.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA284803

Name:
N-[3-(2-Dipropylamino-ethyl)-phenyl]-acetamide

Mol. Formula:
C16H26N2O

M.W.:
262.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA587

Name:
4-(2-Dipropylamino-ethyl)-7-hydroxy-1,3-dihydro-in
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Cas Number:
81654-62-8

Mol. Formula:
C16H24N2O2

M.W.:
276.38

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS