Compounds

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3947302

Name:
1-(3-methoxyphenethyl)-4-(2-ethoxyphenyl)piperazin
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Mol. Formula:
C21H28N2O2

M.W.:
340.47

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3938038

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-isoprop
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Mol. Formula:
C22H28N2O3

M.W.:
368.48

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3930616

Name:
1-(4-methoxyphenethyl)-4-(2-ethoxyphenyl)piperazin
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Mol. Formula:
C21H28N2O2

M.W.:
340.47

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3917716

Name:
1-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2-ethoxyp
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Mol. Formula:
C21H26N2O3

M.W.:
354.45

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3902626

Name:
1-(3,4-dimethoxyphenethyl)-4-(2-ethoxyphenyl)piper
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Cas Number:
1248-54-0

Mol. Formula:
C22H30N2O3

M.W.:
370.49

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3609360

Name:
2-(3-(4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl)pro
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Mol. Formula:
C25H30FN3

M.W.:
391.53

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3609359

Name:
2-(3-(4-(1H-indol-3-yl)piperidin-1-yl)propyl)-1,2,
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Mol. Formula:
C25H31N3

M.W.:
373.54

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3609358

Name:
3-(1-(3-(4-phenylpiperidin-1-yl)propyl)piperidin-4
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Mol. Formula:
C27H35N3

M.W.:
401.60

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3609357

Name:
3-(1-(3-(isoindolin-2-yl)propyl)piperidin-4-yl)-1H
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Mol. Formula:
C24H29N3

M.W.:
359.52

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3609356

Name:
3-(1-(3-(indolin-1-yl)propyl)piperidin-4-yl)-1H-in
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Mol. Formula:
C24H29N3

M.W.:
359.52

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3609355

Name:
3-(1-(3-(1H-pyrrol-1-yl)propyl)piperidin-4-yl)-1H-
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Mol. Formula:
C20H25N3

M.W.:
307.44