Compounds

ALA3409502

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C20H22F2N4O3

M.W.:
404.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
82.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3409501

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C19H20F2N4O3

M.W.:
390.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
82.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3409500

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C18H18F2N4O3

M.W.:
376.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
82.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3409499

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C17H16F2N4O3

M.W.:
362.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
82.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3409498

Name:
5-Bromo-2-(4-(2,6-difluorophenoxy)-3-isopropoxy-5-
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Mol. Formula:
C17H15BrF2N4O2

M.W.:
425.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3409497

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C18H18F2N4O3

M.W.:
376.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
71.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3409496

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C20H22F2N4O2

M.W.:
388.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3409495

Name:
5-Cyclopropyl-2-(4-(2,6-difluorophenoxy)-3-isoprop
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Mol. Formula:
C20H20F2N4O2

M.W.:
386.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3409494

Name:
5-Methyl-2-(4-(2,6-difluorophenoxy)-3-isopropoxy-5
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Mol. Formula:
C18H18F2N4O2

M.W.:
360.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3409493

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C17H15F3N4O2

M.W.:
364.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3409492

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Cas Number:
1644156-94-4

Mol. Formula:
C17H16F2N4O2

M.W.:
346.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3409491

Name:
2-(4-(2,6-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C19H20F2N4O2

M.W.:
374.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3409490

Name:
2-(4-(2,5-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C19H20F2N4O2

M.W.:
374.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3409489

Name:
2-(4-(2,4-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C19H20F2N4O2

M.W.:
374.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3409316

Name:
2-(4-(2,3-Difluorophenoxy)-3-isopropoxy-5-methyl-1
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Mol. Formula:
C19H20F2N4O2

M.W.:
374.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3409315

Name:
5-Ethyl-2-(4-(4-fluorophenoxy)-3-isopropoxy-5-meth
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Mol. Formula:
C19H21FN4O2

M.W.:
356.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3409314

Name:
5-Ethyl-2-(4-(3-fluorophenoxy)-3-isopropoxy-5-meth
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Mol. Formula:
C19H21FN4O2

M.W.:
356.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3409313

Name:
5-Ethyl-2-(4-(2-fluorophenoxy)-3-isopropoxy-5-meth
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Mol. Formula:
C19H21FN4O2

M.W.:
356.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3409312

Name:
2-(4-(3,5-Dichlorophenoxy)-3-ethoxy-5-methyl-1H-py
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Mol. Formula:
C18H18Cl2N4O2

M.W.:
393.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3409311

Name:
2-(4-(2,5-Dichlorophenoxy)-3-ethoxy-5-methyl-1H-py
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Mol. Formula:
C18H18Cl2N4O2

M.W.:
393.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS