Compounds

ALA4098110

Name:
2,4-Dimethylphenyl-4-(2-Oxo-3-propylimidazolidin-1
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Mol. Formula:
C20H24N2O4S

M.W.:
388.49

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4097180

Name:
3-Fluorophenyl-4-(2-Oxo-3-propylimidazolidin-1-yl)
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Mol. Formula:
C18H19FN2O4S

M.W.:
378.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4097043

Name:
3,5-Dichlorophenyl-4-(3-Butyl-2-oxoimidazolidin-1-
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Mol. Formula:
C19H20Cl2N2O4S

M.W.:
443.35

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4096550

Name:
3,4,5-Trimethoxyphenyl-4-(2-Oxo-3-propylimidazolid
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Mol. Formula:
C21H26N2O7S

M.W.:
450.51

21 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
94.61

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4096128

Name:
3,5-Dibromophenyl-4-(3-Butyl-2-oxoimidazolidin-1-y
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Mol. Formula:
C19H20Br2N2O4S

M.W.:
532.25

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4094460

Name:
3,4,5-Trimethoxyphenyl-4-(3-Ethyl-2-oxoimidazolidi
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Mol. Formula:
C20H24N2O7S

M.W.:
436.49

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
94.61

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4104279

Name:
4-Methoxyphenyl-4-(2-Oxo-3-propylimidazolidin-1-yl
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Mol. Formula:
C19H22N2O5S

M.W.:
390.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4102196

Name:
3,4-Dimethoxyphenyl-4-(3-Ethyl-2-oxoimidazolidin-1
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Mol. Formula:
C19H22N2O6S

M.W.:
406.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
85.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4101980

Name:
4-Methoxyphenyl-4-(3-Butyl-2-oxoimidazolidin-1-yl)
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Mol. Formula:
C20H24N2O5S

M.W.:
404.49

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4101885

Name:
Phenyl-4-(3-Butyl-2-oxoimidazolidin-1-yl)benzenesu
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Mol. Formula:
C19H22N2O4S

M.W.:
374.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4099490

Name:
3-Iodophenyl-4-(3-Butyl-2-oxoimidazolidin-1-yl)-be
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Mol. Formula:
C19H21IN2O4S

M.W.:
500.36

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4094150

Name:
4-Fluorophenyl-4-(2-Oxo-3-propylimidazolidin-1-yl)
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Mol. Formula:
C18H19FN2O4S

M.W.:
378.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4093547

Name:
3-Chlorophenyl-4-(3-Ethyl-2-oxoimidazolidin-1-yl)b
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Mol. Formula:
C17H17ClN2O4S

M.W.:
380.85

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4089342

Name:
3-Bromophenyl-4-(3-Butyl-2-oxoimidazolidin-1-yl)be
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Mol. Formula:
C19H21BrN2O4S

M.W.:
453.36

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4087822

Name:
3-Methoxyphenyl-4-(3-Ethyl-2-oxoimidazolidin-1-yl)
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Mol. Formula:
C18H20N2O5S

M.W.:
376.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4086381

Name:
4-Tolyl-4-(2-Oxo-3-propylimidazolidin-1-yl)benzene
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Mol. Formula:
C19H22N2O4S

M.W.:
374.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4085801

Name:
3-Iodophenyl-4-(3-Ethyl-2-oxoimidazolidin-1-yl)ben
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Mol. Formula:
C17H17IN2O4S

M.W.:
472.30

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4085455

Name:
3-Fluorophenyl-4-(3-Butyl-2-oxoimidazolidin-1-yl)b
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Mol. Formula:
C19H21FN2O4S

M.W.:
392.45

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4085078

Name:
3-Nitrophenyl-4-(2-Oxo-3-propylimidazolidin-1-yl)b
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Mol. Formula:
C18H19N3O6S

M.W.:
405.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
110.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4089480

Name:
3-Tolyl-4-(2-Oxo-3-propylimidazolidin-1-yl)benzene
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Mol. Formula:
C19H22N2O4S

M.W.:
374.46

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS