Compounds

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4877617

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(5-meth
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Mol. Formula:
C19H18Cl2N6O4S

M.W.:
497.36

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
135.94

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4877019

Name:
Methylthioadenosine

Mol. Formula:
C11H15N5O4S

M.W.:
313.34

Type:
Unknown

AlogP:
-1.51

Polar Surface Area:
139.54

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4876393

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(4-meth
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Mol. Formula:
C20H19Cl2N5O4S

M.W.:
496.38

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4875323

Name:
2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-N-[4-(dimeth
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Mol. Formula:
C14H15Cl2N5O4S

M.W.:
420.28

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
114.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4875218

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(4-meth
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Mol. Formula:
C19H23Cl2N5O4S

M.W.:
488.40

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
104.61

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4874198

Name:
(R)-2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)N-(4-m
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Mol. Formula:
C21H21Cl2N5O4S

M.W.:
510.40

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4873819

Name:
(2S)-2-(4-Chloro-6-oxo-pyridazin-1-yl)-N-methyl-N-
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Mol. Formula:
C22H24ClN5O4S

M.W.:
489.99

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
114.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4867592

Name:
N-(3-(Azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,5-
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Mol. Formula:
C19H22Cl2N4O4S

M.W.:
473.38

9 activity values

4 unique targets

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
101.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4867497

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(2,4-di
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Mol. Formula:
C21H21Cl2N5O4S

M.W.:
510.40

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4867285

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(4-meth
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Mol. Formula:
C20H19Cl2N5O4S

M.W.:
496.38

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4866410

Name:
Rac-2-(4-chloro-5-methyl-6-oxo-pyridazin-1-yl)-N-[
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Mol. Formula:
C22H24ClN5O4S

M.W.:
489.99

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4865606

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(1-(N,N
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Mol. Formula:
C13H19Cl2N5O4S

M.W.:
412.30

Type:
Unknown

AlogP:
-0.06

Polar Surface Area:
104.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4864955

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(4-meth
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Mol. Formula:
C20H19Cl2N5O5S

M.W.:
512.38

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
132.28

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4863245

Name:
2-(4,5-Dichloro-6-oxopyridazin1yl)N-[3-[2-(2-pyrid
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Mol. Formula:
C19H17Cl2N5O4S

M.W.:
482.35

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4859105

Name:
(2S)-2-(4-Chloro-6-oxo-pyridazin-1-yl)-N-[4-methyl
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Mol. Formula:
C21H22ClN5O4S

M.W.:
475.96

13 activity values

5 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4858967

Name:
(2R)-2-(4-Chloro-6-oxo-pyridazin-1-yl)-N-[4-methyl
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Mol. Formula:
C21H22ClN5O4S

M.W.:
475.96

8 activity values

4 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4858632

Name:
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-(2,4-di
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Mol. Formula:
C21H21Cl2N5O4S

M.W.:
510.40

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4858440

Name:
2-(4-Fluoro-5-methyl-6-oxopyridazin-1(6H)-yl)-N-(4
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Mol. Formula:
C21H22FN5O4S

M.W.:
459.50

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
123.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4861803

Name:
2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-N-methyl-N-[
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Mol. Formula:
C21H21Cl2N5O4S

M.W.:
510.40