Compounds

ALA3189354

Name:
SID14742296

Mol. Formula:
C17H18N2O5

M.W.:
330.34

13 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
105.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3113387

Name:
4-(3-fluoro-2-hydroxybenzylamino)-N-(thiazol-2-yl)
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Mol. Formula:
C16H14FN3O3S2

M.W.:
379.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
91.32

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3113386

Name:
4-(3-chloro-2-hydroxybenzylamino)-N-(thiazol-2-yl)
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Mol. Formula:
C16H14ClN3O3S2

M.W.:
395.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
91.32

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3113385

Name:
4-(2,3-dichlorobenzylamino)-N-(thiazol-2-yl)benzen
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Mol. Formula:
C16H13Cl2N3O2S2

M.W.:
414.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
71.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3113384

Name:
4-((1H-indol-7-yl)methylamino)-N-(thiazol-2-yl)ben
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Mol. Formula:
C18H16N4O2S2

M.W.:
384.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3113383

Name:
4-(3-hydroxy-4-methoxybenzylamino)-N-(thiazol-2-yl
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Mol. Formula:
C17H17N3O4S2

M.W.:
391.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
100.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3113382

Name:
4-(2-amino-3-methoxybenzylamino)-N-(thiazol-2-yl)b
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Mol. Formula:
C17H18N4O3S2

M.W.:
390.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
106.34

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3113381

Name:
4-(3-hydroxybenzylamino)-N-(thiazol-2-yl)benzene s
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Mol. Formula:
C16H15N3O3S2

M.W.:
361.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
91.32

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3113380

Name:
4-(2-aminobenzylamino)-N-(thiazol-2-yl)benzene sul
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Mol. Formula:
C16H16N4O2S2

M.W.:
360.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
97.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3113379

Name:
4-(2,3-dimethoxybenzylamino)-N-(thiazol-2-yl)benze
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Mol. Formula:
C18H19N3O4S2

M.W.:
405.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
89.55

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3113378

Name:
4-(2-methoxybenzylamino)-N-(thiazol-2-yl)benzene s
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Mol. Formula:
C17H17N3O3S2

M.W.:
375.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
80.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3113377

Name:
4-(3-methoxybenzylamino)-N-(thiazol-2-yl)benzene s
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Mol. Formula:
C17H17N3O3S2

M.W.:
375.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
80.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3113376

Name:
4-(2-hydroxybenzylamino)-N-(thiazol-2-yl)benzene s
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Mol. Formula:
C16H15N3O3S2

M.W.:
361.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
91.32

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3113375

Name:
4-(benzylamino)-N-(thiazol-2-yl)benzene sulfonamid
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Mol. Formula:
C16H15N3O2S2

M.W.:
345.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
71.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3113190

Name:
4-(2-hydroxy-3-methoxybenzylamino)-N-(pyrimidin-2-
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Mol. Formula:
C18H18N4O4S

M.W.:
386.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
113.44

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3113189

Name:
4-(2-hydroxy-3-methoxybenzylamino)-N-(pyridin-3-yl
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Mol. Formula:
C19H19N3O4S

M.W.:
385.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
100.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3113184

Name:
4-(2-hydroxy-3-methoxybenzylamino)-N-(4-(piperazin
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Mol. Formula:
C24H28N4O4S

M.W.:
468.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
102.93

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3113182

Name:
N-([1,1'-biphenyl]-3-yl)-4-((2-hydroxy-3-methoxybe
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Mol. Formula:
C26H24N2O4S

M.W.:
460.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
87.66

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3113175

Name:
4-((2-hydroxy-3-methoxybenzyl)amino)-N-(3-methoxyp
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Mol. Formula:
C21H22N2O5S

M.W.:
414.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
96.89

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3113174

Name:
4-(2-hydroxy-3-methoxybenzylamino)-N-(5-methylisox
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Mol. Formula:
C18H19N3O5S

M.W.:
389.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
113.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS