Compounds

Type:
---

AlogP:
2.38

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5208815

Name:
N-ethyl-5-isopropyl-2-methoxy-4-methylbenzenesulfo
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Mol. Formula:
C13H21NO3S

M.W.:
271.38

Type:
---

AlogP:
2.43

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5208067

Name:
5-isopropyl-2-methoxy-4-methyl-N-o-tolylbenzenesul
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Mol. Formula:
C18H23NO3S

M.W.:
333.45

Type:
---

AlogP:
4.24

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5206102

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-4
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Mol. Formula:
C15H20N2O3S

M.W.:
308.40

Type:
---

AlogP:
2.87

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5205252

Name:
N-(2,3-dimethylphenyl)-5-isopropyl-2-methoxy-N,4-d
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Mol. Formula:
C20H27NO3S

M.W.:
361.51

Type:
---

AlogP:
4.57

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5203991

Name:
5-isopropyl-2-methoxy-N,4-dimethyl-N-m-tolylbenzen
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Mol. Formula:
C19H25NO3S

M.W.:
347.48

Type:
---

AlogP:
4.26

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5202043

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-1
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Mol. Formula:
C15H19NO3S

M.W.:
293.39

Type:
---

AlogP:
3.17

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5201643

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-3
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Cas Number:
956263-24-4

Mol. Formula:
C15H20N2O3S

M.W.:
308.40

Type:
---

AlogP:
2.87

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5199755

Name:
5-isopropyl-2-methoxy-4-methyl-N-(3-methylpyridin-
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Cas Number:
873679-75-5

Mol. Formula:
C17H22N2O3S

M.W.:
334.44

Type:
---

AlogP:
3.63

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5198231

Name:
5-isopropyl-2-methoxy-4-methyl-N-phenylbenzenesulf
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Mol. Formula:
C17H21NO3S

M.W.:
319.43

Type:
---

AlogP:
3.93

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5196217

Name:
5-isopropyl-2-methoxy-N,4-dimethyl-N-o-tolylbenzen
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Mol. Formula:
C19H25NO3S

M.W.:
347.48

18 activity values

4 unique targets

Type:
---

AlogP:
4.26

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5196015

Name:
2-ethyl-1-(5-isopropyl-2-methoxy-4-methylphenylsul
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Cas Number:
898645-07-3

Mol. Formula:
C16H22N2O3S

M.W.:
322.43

Type:
---

AlogP:
3.12

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5195010

Name:
5-isopropyl-2-methoxy-N,4-dimethyl-N-(3-methylpyri
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Mol. Formula:
C18H24N2O3S

M.W.:
348.47

Type:
---

AlogP:
3.66

Polar Surface Area:
59.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5192665

Name:
N-(2,5-dimethylphenyl)-5-isopropyl-2-methoxy-N,4-d
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Mol. Formula:
C20H27NO3S

M.W.:
361.51

Type:
---

AlogP:
4.57

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5189393

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-4
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Mol. Formula:
C14H17N3O5S

M.W.:
339.37

Type:
---

AlogP:
2.47

Polar Surface Area:
104.33

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5185726

Name:
5-isopropyl-2-methoxy-N,4-dimethyl-N-p-tolylbenzen
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Mol. Formula:
C19H25NO3S

M.W.:
347.48

Type:
---

AlogP:
4.26

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5183716

Name:
5-isopropyl-2-methoxy-N,4-dimethyl-N-(6-methylpyri
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Mol. Formula:
C18H24N2O3S

M.W.:
348.47

Type:
---

AlogP:
3.66

Polar Surface Area:
59.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5183184

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-1
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Cas Number:
398996-79-7

Mol. Formula:
C18H20N2O3S

M.W.:
344.44

Type:
---

AlogP:
3.71

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5180235

Name:
1-(5-isopropyl-2-methoxy-4-methylphenylsulfonyl)-3
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Mol. Formula:
C16H21NO3S

M.W.:
307.42

Type:
---

AlogP:
3.47

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5180208

Name:
1-(5-isopropyl-4-methyl-2-(prop-2-ynyloxy)phenylsu
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Mol. Formula:
C17H20N2O3S

M.W.:
332.43