Compounds

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
104.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1085309

Name:
N-(2-hydroxyethyl)-4-(4-(thiophen-3-yl)pyrimidin-2
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Mol. Formula:
C16H16N4O3S2

M.W.:
376.46

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
104.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1085308

Name:
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N
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Mol. Formula:
C21H25N5O2S2

M.W.:
443.60

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1085710

Name:
N-(3-(dimethylamino)propyl)-4-(4-(thiophen-3-yl)py
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Mol. Formula:
C19H23N5O2S2

M.W.:
417.56

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1085881

Name:
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N
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Mol. Formula:
C20H23N5O2S2

M.W.:
429.57

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1085880

Name:
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyr
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Mol. Formula:
C18H21N5O2S2

M.W.:
403.53

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1085654

Name:
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)be
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Mol. Formula:
C16H14N4O2S2

M.W.:
358.45

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
97.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1084970

Name:
4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesul
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Mol. Formula:
C14H12N4O2S2

M.W.:
332.41

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
97.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1086357

Name:
N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]q
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Mol. Formula:
C23H19N5O4S

M.W.:
461.50

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
140.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1083483

Name:
methyl 3-oxo-3-(2-(4-sulfamoylphenylamino)-5,6-dih
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Mol. Formula:
C22H21N5O5S

M.W.:
467.51

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
153.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1083482

Name:
N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]q
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Mol. Formula:
C22H23N5O3S

M.W.:
437.53

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
127.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1083176

Name:
N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]q
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Mol. Formula:
C24H25N5O3S

M.W.:
463.56

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
127.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1083175

Name:
3-methyl-N-(2-(4-sulfamoylphenylamino)-5,6-dihydro
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Mol. Formula:
C23H23N5O3S

M.W.:
449.54

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
127.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1084089

Name:
3-methyl-N-(2-(4-sulfamoylphenylamino)-5,6-dihydro
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Mol. Formula:
C23H25N5O3S

M.W.:
451.55

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
127.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1084088

Name:
2-(4-methoxyphenyl)-N-(2-(4-sulfamoylphenylamino)-
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Mol. Formula:
C27H25N5O4S

M.W.:
515.60

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
136.30

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1084628

Name:
N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]q
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Mol. Formula:
C24H21N5O3S2

M.W.:
491.60

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
127.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1084361

Name:
N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]q
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Mol. Formula:
C24H21N5O3S2

M.W.:
491.60

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
127.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1085122

Name:
N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phe
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Mol. Formula:
C22H19N5O3S2

M.W.:
465.56

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
127.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1085121

Name:
2-phenyl-N-(2-(4-sulfamoylphenylamino)-5,6-dihydro
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Mol. Formula:
C26H23N5O3S

M.W.:
485.57

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
127.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1084174

Name:
2-phenyl-N-(4-(2-(4-sulfamoylphenylamino)pyrimidin
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Mol. Formula:
C24H21N5O3S

M.W.:
459.53