Compounds

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
138.87

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2296211

Name:
2-(4-(2-(5-p-tolyl-1,3,4-oxadiazol-2-ylthio)ethoxy
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Mol. Formula:
C21H16N4O2S

M.W.:
388.45

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
95.73

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2296210

Name:
2-(4-(2-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-ylth
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Mol. Formula:
C20H13FN4O2S

M.W.:
392.42

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
95.73

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2296209

Name:
2-(4-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylth
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Mol. Formula:
C20H13ClN4O2S

M.W.:
408.87

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
95.73

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2296208

Name:
2-(4-(2-(5-(2-chlorophenyl)-1,3,4-oxadiazol-2-ylth
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Mol. Formula:
C20H13ClN4O2S

M.W.:
408.87

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
95.73

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2296207

Name:
2-(4-(2-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-ylt
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Mol. Formula:
C21H16N4O3S

M.W.:
404.45

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
104.96

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2436037

Name:
(S)-2-(2-(1-(3-(1H-Indol-3-yl)propanamido)-2-(4-(b
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Mol. Formula:
C43H35FN4O5S

M.W.:
738.84

18 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.99

Polar Surface Area:
133.41

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2430649

Name:
2-(4-((1-(4-(Trifluoromethyl)phenyl)-1H-1,2,3-tria
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Mol. Formula:
C27H17F3N4O2

M.W.:
486.45

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2430648

Name:
2-(4-((1-p-Tolyl-1H-1,2,3-triazol-4yl)methoxy)-phe
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Mol. Formula:
C27H20N4O2

M.W.:
432.48

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2430647

Name:
2-(4-((1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Hep
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Mol. Formula:
C30H17F17N4O2

M.W.:
788.46

Type:
Small molecule

AlogP:
10.22

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2430646

Name:
2-(4-((1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroo
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Mol. Formula:
C28H17F13N4O2

M.W.:
688.44

Type:
Small molecule

AlogP:
8.95

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2430645

Name:
2-(4-((1-Hexyl-1H-1,2,3-triazol-4yl)methoxy)phenyl
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Mol. Formula:
C26H26N4O2

M.W.:
426.52

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2430644

Name:
2-(4-((1-Butyl)-1H-1,2,3-triazol-4yl)methoxy)-phen
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Mol. Formula:
C24H22N4O2

M.W.:
398.47

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2430643

Name:
2-(4-((1-(3,4-difluorophenyl)-1H-1,2,3-triazol-4-y
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Mol. Formula:
C26H16F2N4O2

M.W.:
454.44

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2430642

Name:
2-(4-((1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazo
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Mol. Formula:
C26H16ClFN4O2

M.W.:
470.89

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2430641

Name:
2-(4-((1-(3-Chlorophenyl)-1H-1,2,3-triazol-4yl)met
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Mol. Formula:
C26H17ClN4O2

M.W.:
452.90

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2430640

Name:
2-(4-((1-(3-(Trifluoromethyl)phenyl)-1H-1,2,3-tria
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Mol. Formula:
C27H17F3N4O2

M.W.:
486.45

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
65.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2430639

Name:
2-(4-((1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4yl)me
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Mol. Formula:
C27H20N4O3

M.W.:
448.48

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
75.20

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2430638

Name:
2-(4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)phen
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Mol. Formula:
C26H18N4O2

M.W.:
418.46