Compounds

ALA4872325

Name:
1-(3,4-Dichlorophenyl)-2-(4-{[1,2,4]triazolo[4,3-b
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Mol. Formula:
C17H14Cl2N6O2

M.W.:
405.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
83.70

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4871763

Name:
1-(4-([1,2,4]Triazolo[4,3-b]pyridazin-6-yl)piperaz
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Mol. Formula:
C17H18N6O

M.W.:
322.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.02

Polar Surface Area:
66.63

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4871201

Name:
2-(4-Methoxyphenyl)-1-(4-{[1,2,4]triazolo[4,3-b]py
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Mol. Formula:
C18H20N6O2

M.W.:
352.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.02

Polar Surface Area:
75.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4869919

Name:
2-(3,4-Dichlorophenyl)-1-[4-({[1,2,4]triazolo[4,3-
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Mol. Formula:
C18H18Cl2N6O

M.W.:
405.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
75.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5287634

Name:
6-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin-1-yl)
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Mol. Formula:
C21H22Cl2N6O2

M.W.:
461.35

Type:
---

AlogP:
2.63

Polar Surface Area:
74.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5287471

Name:
1-(4-(2-aminobenzo[d]thiazol-5-yl)piperazin-1-yl)-
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Mol. Formula:
C19H18Cl2N4OS

M.W.:
421.35

Type:
---

AlogP:
4.08

Polar Surface Area:
62.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5287346

Name:
2-(3,4-dichlorophenyl)-1-(4-(6-methylpyridin-2-yl)
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Mol. Formula:
C18H19Cl2N3O

M.W.:
364.28

Type:
---

AlogP:
3.59

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5287227

Name:
N-((1s,4s)-4-((4-chlorophenyl)sulfonyl)-4-phenylcy
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Mol. Formula:
C19H19ClF3NO4S2

M.W.:
481.95

Type:
---

AlogP:
4.39

Polar Surface Area:
80.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5287140

Name:
2,2-dimethyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-d
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Mol. Formula:
C25H30N4O3

M.W.:
434.54

Type:
---

AlogP:
2.89

Polar Surface Area:
90.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5286521

Name:
2-(3,4-dichlorophenyl)-1-(4-(2-methylbenzo[d]thiaz
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Mol. Formula:
C20H19Cl2N3OS

M.W.:
420.37

Type:
---

AlogP:
4.80

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5286214

Name:
(2S)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-
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Mol. Formula:
C23H23F3N4O3

M.W.:
460.46

Type:
---

AlogP:
2.78

Polar Surface Area:
104.86

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5286179

Name:
1-(4-(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-6-yl
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Mol. Formula:
C17H17Cl2N7O

M.W.:
406.28

Type:
---

AlogP:
1.90

Polar Surface Area:
92.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5284926

Name:
N-(3,4-dichlorophenyl)-4-(imidazo[1,2-b]pyridazin-
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Mol. Formula:
C17H16Cl2N6O

M.W.:
391.26

Type:
---

AlogP:
3.39

Polar Surface Area:
65.77

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5283923

Name:
(2R)-N-[(3R)-8-cyclobutoxy-1-methyl-2-oxo-5-phenyl
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Mol. Formula:
C32H37F3N4O4

M.W.:
598.67

Type:
---

AlogP:
5.24

Polar Surface Area:
91.31

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5283775

Name:
(2R)-N'-ethyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-
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Mol. Formula:
C25H27F3N4O3

M.W.:
488.51

Type:
---

AlogP:
3.43

Polar Surface Area:
90.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5283508

Name:
2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)e
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Mol. Formula:
C18H18Cl2N2O

M.W.:
349.26

Type:
---

AlogP:
3.88

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5283121

Name:
(2R)-N-[(3S)-8-methoxy-1-methyl-2-oxo-5-phenyl-2,3
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Mol. Formula:
C27H31F3N4O4

M.W.:
532.56

Type:
---

AlogP:
3.83

Polar Surface Area:
100.10

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5282809

Name:
(2S)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-
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Mol. Formula:
C26H29F3N4O3

M.W.:
502.54

Type:
---

AlogP:
3.82

Polar Surface Area:
90.87

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5282795

Name:
Butyl 6-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin
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Mol. Formula:
C23H25Cl2N5O3

M.W.:
490.39

Type:
---

AlogP:
3.88

Polar Surface Area:
80.04

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5282149

Name:
1-(4-(2-benzyl-2H-pyrazolo[4,3-b]pyridin-5-yl)pipe
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Mol. Formula:
C25H23Cl2N5O

M.W.:
480.40

Type:
---

AlogP:
4.68

Polar Surface Area:
54.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS