Compounds

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
113.32

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1077629

Name:
4-(3-hexylureido)-N-(4-(2-hydroxy-2-methylpropyl)p
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Mol. Formula:
C23H33N3O4S

M.W.:
447.60

1 activity values

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1079046

Name:
N-(4-(2-(ethylamino)-2-methylpropyl)phenyl)-4-(3-h
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Mol. Formula:
C25H38N4O3S

M.W.:
474.67

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
99.33

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1079045

Name:
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-hexylure
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Mol. Formula:
C23H34N4O3S

M.W.:
446.62

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
113.32

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1078462

Name:
7-((6-isobutoxypyridin-3-ylsulfonyl)methyl)-2,3,4,
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Mol. Formula:
C20H26N2O3S

M.W.:
374.51

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1077839

Name:
N-(4-(2-aminoethyl)phenyl)-4-(3-hexylureido)benzen
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Mol. Formula:
C21H30N4O3S

M.W.:
418.56

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
113.32

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1077717

Name:
N-(4-ethylphenyl)-4-(3-hexylureido)benzenesulfonam
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Mol. Formula:
C21H29N3O3S

M.W.:
403.55

1 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1077716

Name:
4-(3-hexylureido)-N-phenylbenzenesulfonamide

Mol. Formula:
C19H25N3O3S

M.W.:
375.49

1 activity values

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1077617

Name:
(S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydr
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Mol. Formula:
C32H44N4O6S

M.W.:
612.79

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
149.02

HBA:
7

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1078269

Name:
4-(5-((2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)m
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Mol. Formula:
C23H21N3O2S

M.W.:
403.51

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
82.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1078343

Name:
7-((naphthalen-2-ylsulfonyl)methyl)-2,3,4,5-tetrah
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Mol. Formula:
C21H21NO2S

M.W.:
351.47

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1078342

Name:
7-((4-tert-butylphenylsulfonyl)methyl)-2,3,4,5-tet
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Mol. Formula:
C21H27NO2S

M.W.:
357.52

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA1077578

Name:
7-(phenylsulfonylmethyl)-2,3,4,5-tetrahydro-1H-ben
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Mol. Formula:
C17H19NO2S

M.W.:
301.41

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.95

DETAILS

ALA1078104

Name:
N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-
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Mol. Formula:
C20H21ClN4O2S

M.W.:
416.93

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1081859

Name:
N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-
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Mol. Formula:
C21H24N4O2S

M.W.:
396.52

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1079187

Name:
4-butyl-N-(3-((2-methyl-1H-imidazol-5-yl)methyl)-2
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Mol. Formula:
C25H32N4O2S

M.W.:
452.62

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1079186

Name:
4-butyl-N-(3-((4-methyl-1H-imidazol-5-yl)methyl)-2
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Mol. Formula:
C25H32N4O2S

M.W.:
452.62

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1079185

Name:
N-(3-((1H-imidazol-5-yl)methyl)-2,3,4,5-tetrahydro
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Mol. Formula:
C24H30N4O2S

M.W.:
438.60

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1079170

Name:
N-(5-((7-(4-butylphenylsulfonamido)-4,5-dihydro-1H
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Mol. Formula:
C27H33N3O3S2

M.W.:
511.71

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
78.51

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1078882

Name:
4-butyl-N-(3-(thiophen-2-ylmethyl)-2,3,4,5-tetrahy
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Mol. Formula:
C25H30N2O2S2

M.W.:
454.66