Compounds

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4476579

Name:
5-(4-(3-Fluorophenyl)-1H-1,2,3-triazol-1-yl)-4'-(p
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Mol. Formula:
C26H23FN4O2

M.W.:
442.49

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4475814

Name:
5-(4-Bromobenzamido)-4'-(piperidin-4-yl)-[1,1'-bip
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Mol. Formula:
C25H23BrN2O3

M.W.:
479.37

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4540545

Name:
5-(4-(4-Carboxyphenyl)-1H-1,2,3-triazol-1-yl)-4'-(
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Mol. Formula:
C27H24N4O4

M.W.:
468.51

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
117.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4538561

Name:
5-(Pyrazine-2-carboxamido)-4'-(piperidin-4-yl)-[1,
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Mol. Formula:
C23H22N4O3

M.W.:
402.45

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
104.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4525685

Name:
5-(4-(4-Ethylphenyl)-1H-1,2,3-triazol-1-yl)-4'-(pi
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Mol. Formula:
C28H28N4O2

M.W.:
452.56

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4521662

Name:
5-(4-(3,4-Dimethoxyphenyl)-1H-1,2,3-triazol-1-yl)-
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Mol. Formula:
C28H28N4O4

M.W.:
484.56

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4533354

Name:
5-(4-(Thiophen-3-yl)-1H-1,2,3-triazol-1-yl)-4'-(pi
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Mol. Formula:
C24H22N4O2S

M.W.:
430.53

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
80.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4558911

Name:
5-(4-(4-Isopropylphenyl)-1H-1,2,3-triazol-1-yl)-4'
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Mol. Formula:
C29H30N4O2

M.W.:
466.59

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4556572

Name:
5-(4-(Pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-4'-(pip
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Mol. Formula:
C25H23N5O2

M.W.:
425.49

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
92.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4555395

Name:
5-(4-(3-Carboxyphenyl)-1H-1,2,3-triazol-1-yl)-4'-(
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Mol. Formula:
C27H24N4O4

M.W.:
468.51

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
117.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4554777

Name:
5-(4-(4-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-4'-(p
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Mol. Formula:
C26H23ClN4O2

M.W.:
458.95

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4568716

Name:
5-(4-Methoxybenzamido)-4'-(piperidin-4-yl)-[1,1'-b
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Mol. Formula:
C26H26N2O4

M.W.:
430.50

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4568641

Name:
5-(4-(3,4-Difluorophenyl)-1H-1,2,3-triazol-1-yl)-4
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Mol. Formula:
C26H22F2N4O2

M.W.:
460.48

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4527062

Name:
5-(4-(Benzofuran-2-yl)-1H-1,2,3-triazol-1-yl)-4'-(
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Mol. Formula:
C28H24N4O3

M.W.:
464.53

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
93.18

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4526840

Name:
5-(4-Nitrobenzamido)-4'-(piperidin-4-yl)-[1,1'-bip
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Mol. Formula:
C25H23N3O5

M.W.:
445.48

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
121.57

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4548774

Name:
5-(Benzo[d][1,3]dioxole-5-carboxamido)-4'-(piperid
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Mol. Formula:
C26H24N2O5

M.W.:
444.49

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
96.89

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4546548

Name:
5-(4-(Pyrazin-2-yl)-1H-1,2,3-triazol-1-yl)-4'-(pip
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Mol. Formula:
C24H22N6O2

M.W.:
426.48

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
105.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4575573

Name:
5-(4-(2-Fluorophenyl)-1H-1,2,3-triazol-1-yl)-4'-(p
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Mol. Formula:
C26H23FN4O2

M.W.:
442.49

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4577585

Name:
5-(Isonicotinamido)-4'-(piperidin-4-yl)-[1,1'-biph
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Mol. Formula:
C24H23N3O3

M.W.:
401.47