Compounds

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228882

Name:
1-[(3R)-3-(4-Chlorophenyl)heptyl]-1H-1,2,4-triazol
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Mol. Formula:
C15H20ClN3

M.W.:
277.80

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228881

Name:
1-[(3S)-3-(4-Fluorophenyl)heptyl]-1H-1,2,4-triazol
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Mol. Formula:
C15H20FN3

M.W.:
261.34

24 activity values

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228880

Name:
1-[(3R)-3-(4-Fluorophenyl)heptyl]-1H-1,2,4-triazol
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Mol. Formula:
C15H20FN3

M.W.:
261.34

24 activity values

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228879

Name:
1-[(3S)-3-Phenylheptyl]-1H-1,2,4-triazole

Mol. Formula:
C15H21N3

M.W.:
243.35

12 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2228878

Name:
1-[(3R)-3-Phenylheptyl]-1H-1,2,4-triazole

Mol. Formula:
C15H21N3

M.W.:
243.35

15 activity values

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2228877

Name:
1-[(3S)-3-(4-Methoxyphenyl)hexyl]-1H-1,2,4-triazol
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Mol. Formula:
C15H21N3O

M.W.:
259.35

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2228876

Name:
1-[(3R)-3-(4-Methoxyphenyl)hexyl]-1H-1,2,4-triazol
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Mol. Formula:
C15H21N3O

M.W.:
259.35

12 activity values

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2228875

Name:
1-[(3S)-3-(4-Fluorophenyl)hexyl]-1H-1,2,4-triazole

Mol. Formula:
C14H18FN3

M.W.:
247.32

10 activity values

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2228874

Name:
1-[(3R)-3-(4-Fluorophenyl)hexyl]-1H-1,2,4-triazole

Mol. Formula:
C14H18FN3

M.W.:
247.32

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2228873

Name:
1-[(3S)-3-Phenylhexyl]-1H-1,2,4-triazole

Mol. Formula:
C14H19N3

M.W.:
229.33

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228872

Name:
1-[(3R)-3-Phenylhexyl]-1H-1,2,4-triazole

Mol. Formula:
C14H19N3

M.W.:
229.33

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2228871

Name:
1-[(3S)-3-(4-Methoxyphenyl)pentyl]-1H-1,2,4-triazo
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Mol. Formula:
C14H19N3O

M.W.:
245.33

20 activity values

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2228870

Name:
1-[(3R)-3-(4-Methoxyphenyl)pentyl]-1H-1,2,4-triazo
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Mol. Formula:
C14H19N3O

M.W.:
245.33

15 activity values

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2228869

Name:
1-[(3S)-3-(4-Chlorophenyl)pentyl]-1H-1,2,4-triazol
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Mol. Formula:
C13H16ClN3

M.W.:
249.75

16 activity values

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2228868

Name:
1-[(3R)-3-(4-Chlorophenyl)pentyl]-1H-1,2,4-triazol
Show More⌵

Mol. Formula:
C13H16ClN3

M.W.:
249.75

15 activity values