Compounds

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4742934

Name:
2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoyl]-N,
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Mol. Formula:
C17H19N3O5S

M.W.:
377.42

Type:
Unknown

AlogP:
1.01

Polar Surface Area:
115.81

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4765043

Name:
N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyani
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Mol. Formula:
C22H19Cl2N3O5S

M.W.:
508.38

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4762179

Name:
2[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoyl]-N-(
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Mol. Formula:
C23H23N3O5S

M.W.:
453.52

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4762070

Name:
2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfon
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Mol. Formula:
C26H28N4O5S

M.W.:
508.60

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
119.05

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4759922

Name:
2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoyl]ben
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Mol. Formula:
C15H15N3O5S

M.W.:
349.37

Type:
Unknown

AlogP:
0.41

Polar Surface Area:
138.59

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4759895

Name:
2[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoy]-N-[(
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Mol. Formula:
C22H20N4O7S

M.W.:
484.49

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
167.74

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4757750

Name:
N-butyl-2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfa
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Mol. Formula:
C19H23N3O5S

M.W.:
405.48

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4756273

Name:
2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoyl]-N-
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Mol. Formula:
C21H20N4O5S

M.W.:
440.48

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
137.49

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4778557

Name:
N-benzyl-2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulf
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Mol. Formula:
C22H21N3O5S

M.W.:
439.49

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4777494

Name:
2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sutfamoyli-N-
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Mol. Formula:
C23H23N3O6S

M.W.:
469.52

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
133.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4783931

Name:
N-cyclopentyl-2-[[2-(4-hydroxyanilino)-2-oxo-ethyl
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Mol. Formula:
C20H23N3O5S

M.W.:
417.49

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4751896

Name:
2-[[2-(4-hydroxyanilino)-2-oxo-ethyl]sulfamoyl]-N-
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Mol. Formula:
C21H26N4O5S

M.W.:
446.53

Type:
Unknown

AlogP:
1.13

Polar Surface Area:
127.84

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4791601

Name:
N-(4-hydroxyphenyl)-2-[[2-(morpholine-4-carbonyl)p
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Mol. Formula:
C19H21N3O6S

M.W.:
419.46

Type:
Unknown

AlogP:
0.78

Polar Surface Area:
125.04

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4800549

Name:
2-[[2-(4-Hydroxyanilino)-2-oxo-ethyl]sulfamoyl]-N-
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Mol. Formula:
C16H17N3O5S

M.W.:
363.39

20 activity values

7 unique targets

Type:
Unknown

AlogP:
0.67

Polar Surface Area:
124.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4800229

Name:
N-[2-(3,4-dihydroxyphenylethyl]-2-[[2-(4-hydroxyan
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Mol. Formula:
C23H23N3O7S

M.W.:
485.52

22 activity values

8 unique targets

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
165.06

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3800314

Name:
8-(((3,5-difluorophenyl)(2-methoxyethyl)amino)meth
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Mol. Formula:
C26H29F2N3O5

M.W.:
501.53

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
75.46

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3800109

Name:
4-ethyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carb
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Mol. Formula:
C11H13NO3

M.W.:
207.23

1 activity values

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA3798438

Name:
N-(5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl)-3
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Mol. Formula:
C17H14Cl2N4O2S

M.W.:
409.30

1 activity values

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
87.14

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3797865

Name:
N-(5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl)-4
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Mol. Formula:
C19H16Cl2N4O3S

M.W.:
451.34