Compounds

ALA3984416

Name:
2-(3-chlorophenoxy)-N-(4-(N-thiazol-2-ylsulfamoyl)
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Mol. Formula:
C21H16ClN3O4S2

M.W.:
473.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3981916

Name:
2,2,2-Trifluoro-N-[5-(thiazol-2-ylsulfamoyl)-quino
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Cas Number:
928825-79-0

Mol. Formula:
C14H9F3N4O3S2

M.W.:
402.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
101.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3976615

Name:
2-Phenoxy-N-[4-(thiazol-2-ylsulfamoyl)-naphthalen-
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Mol. Formula:
C21H17N3O4S2

M.W.:
439.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3957374

Name:
3,4-Dichloro-N-[5-(thiazol-2-ylsulfamoyl)-naphthal
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Mol. Formula:
C20H13Cl2N3O3S2

M.W.:
478.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3953036

Name:
2-Phenoxy-N-[5-(thiazol-2-ylsulfamoyl)-quinolin-8-
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Mol. Formula:
C21H18N4O4S2

M.W.:
454.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
110.28

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3952545

Name:
2-(3-chloro-4-fluorophenoxy)-N-(4-(N-thiazol-2-yls
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Mol. Formula:
C21H15ClFN3O4S2

M.W.:
491.95

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3950333

Name:
2-(4-chlorophenoxy)-N-(5-(N-thiazol-2-ylsulfamoyl)
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Mol. Formula:
C21H16ClN3O4S2

M.W.:
473.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3949876

Name:
2-(4-methoxyphenyl)-N-(5-(N-thiazol-2-ylsulfamoyl)
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Mol. Formula:
C22H19N3O4S2

M.W.:
453.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3949393

Name:
2-(3-chlorophenoxy)-N-(5-(N-thiazol-2-ylsulfamoyl)
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Mol. Formula:
C21H16ClN3O4S2

M.W.:
473.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3937475

Name:
2,5-difluoro-N-(5-(N-thiazol-2-ylsulfamoyl)quinoli
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Mol. Formula:
C19H12F2N4O3S2

M.W.:
446.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
101.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3935619

Name:
2-(1H-indol-1-yl)-N-(5-(N-thiazol-2-ylsulfamoyl)na
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Mol. Formula:
C24H20N4O3S2

M.W.:
476.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
93.09

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3934729

Name:
2-Fluoro-N-[5-(thiazol-2-yl sulfamoyl)-quinolin-8-
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Mol. Formula:
C19H13FN4O3S2

M.W.:
428.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
101.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3934711

Name:
2-(3-Chloro-4-fluoro-phenoxy)-N-[5-(thiazol-2-ylsu
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Mol. Formula:
C20H14ClFN4O4S2

M.W.:
492.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
110.28

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3931977

Name:
2-(4-tert-butylphenoxy)-N-(4-(N-thiazol-2-ylsulfam
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Mol. Formula:
C25H25N3O4S2

M.W.:
495.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3900363

Name:
2-phenoxy-N-(5-(N-thiazol-2-ylsulfamoyl)quinolin-8
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Mol. Formula:
C20H16N4O4S2

M.W.:
440.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
110.28

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3890550

Name:
2-(4-chlorophenoxy)-N-(4-(N-thiazol-2-ylsulfamoyl)
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Mol. Formula:
C21H16ClN3O4S2

M.W.:
473.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3890289

Name:
2-(3-chloro-4-fluorophenoxy)-N-(5-(N-thiazol-2-yls
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Mol. Formula:
C21H15ClFN3O4S2

M.W.:
491.95

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS