Compounds

ALA1208988

Name:
5-(1H-1,2,3-triazol-1-yl)-1,4,5,6-tetrahydrocyclop
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Mol. Formula:
C9H9N5O2

M.W.:
219.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.04

Polar Surface Area:
96.69

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1208987

Name:
5-(1H-pyrazol-1-yl)-1,4,5,6-tetrahydrocyclopenta[c
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Mol. Formula:
C10H10N4O2

M.W.:
218.22

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
83.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1208926

Name:
5-(1-methyl-1H-pyrazol-4-yl)-1,4,5,6-tetrahydrocyc
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Mol. Formula:
C11H12N4O2

M.W.:
232.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
83.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1208925

Name:
5-(thiophen-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]p
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Mol. Formula:
C11H10N2O2S

M.W.:
234.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
65.98

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1208924

Name:
5-(thiophen-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]p
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Mol. Formula:
C11H10N2O2S

M.W.:
234.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
65.98

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1208923

Name:
5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclop
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Mol. Formula:
C13H9F3N2O2

M.W.:
282.22

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1208922

Name:
5-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3
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Mol. Formula:
C13H12N2O2

M.W.:
228.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1208921

Name:
5-sec-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol
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Mol. Formula:
C11H16N2O2

M.W.:
208.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1208920

Name:
5-isopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol
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Mol. Formula:
C10H14N2O2

M.W.:
194.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1208919

Name:
5-propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3
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Mol. Formula:
C10H14N2O2

M.W.:
194.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
65.98

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA507182

Name:
5-(3,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,
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Mol. Formula:
C13H10F2N6

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA520137

Name:
3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4
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Mol. Formula:
C13H9F3N6

M.W.:
306.25

17 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA519966

Name:
5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te
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Mol. Formula:
C13H11FN6

M.W.:
270.27

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA502716

Name:
5-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te
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Mol. Formula:
C13H11ClN6

M.W.:
286.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA504980

Name:
5-(2-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te
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Mol. Formula:
C13H11FN6

M.W.:
270.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA520676

Name:
5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,
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Mol. Formula:
C13H10F2N6

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA519811

Name:
5-(3,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,
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Mol. Formula:
C13H10F2N6

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA447050

Name:
5-(2-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te
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Mol. Formula:
C13H11ClN6

M.W.:
286.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA483142

Name:
5-(2,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,
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Mol. Formula:
C13H10F2N6

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA483141

Name:
5-(2,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,
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Mol. Formula:
C13H10F2N6

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS