Compounds

ALA2386039

Name:
2-(2,6-Dichlorophenyl)-3-(2-(piperidin-1-yl)ethyl)
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Mol. Formula:
C16H20Cl2N2OS

M.W.:
359.32

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2386038

Name:
3-(2-(Piperidin-1-yl)ethyl)-2-p-tolylthiazolidin-4
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Mol. Formula:
C17H24N2OS

M.W.:
304.46

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2385090

Name:
2-(4-Methoxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thi
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Mol. Formula:
C17H24N2O2S

M.W.:
320.46

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2386037

Name:
2-(3-Methoxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thi
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Mol. Formula:
C17H24N2O2S

M.W.:
320.46

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2386036

Name:
2-(2-Methoxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thi
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Mol. Formula:
C17H24N2O2S

M.W.:
320.46

25 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2386035

Name:
2-(4-Hydroxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thi
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Mol. Formula:
C16H22N2O2S

M.W.:
306.43

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2386034

Name:
2-(3-Hydroxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thi
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Mol. Formula:
C16H22N2O2S

M.W.:
306.43

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2386033

Name:
2-(2-Nitrophenyl)-3-(2-(piperidin-1-yl)ethyl)thiaz
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Mol. Formula:
C16H21N3O3S

M.W.:
335.43

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2386032

Name:
2-(4-Chlorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21ClN2OS

M.W.:
324.88

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2386031

Name:
2-(3-Chlorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21ClN2OS

M.W.:
324.88

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2386030

Name:
2-(2-Chlorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21ClN2OS

M.W.:
324.88

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2386029

Name:
2-(4-Fluorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21FN2OS

M.W.:
308.42

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2386028

Name:
2-(3-Fluorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21FN2OS

M.W.:
308.42

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1906910

Name:
2-(3-Nitrophenyl)-3-(2-(piperidin-1-yl)ethyl)thiaz
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Mol. Formula:
C16H21N3O3S

M.W.:
335.43

25 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1622264

Name:
2-(4-Nitrophenyl)-3-(2-(piperidin-1-yl)ethyl)thiaz
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Mol. Formula:
C16H21N3O3S

M.W.:
335.43

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1618248

Name:
2-(2-Fluorophenyl)-3-(2-(piperidin-1-yl)ethyl)thia
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Mol. Formula:
C16H21FN2OS

M.W.:
308.42

23 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS