Compounds

ALA4799816

Name:
N-(2-(difluoromethoxy)benzyl)-N-(1-(methylamino)-1-oxopropan-2-yl)-2-(pyrroShow More⌵

Mol. Formula:
C21H25F2N5O4

M.W.:
449.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4796239

Name:
(R)-2-(4-((2-(difluoromethoxy)benzyl)(1-(methylamino)-1-oxopropan-2-yl)carbShow More⌵

Mol. Formula:
C26H26F2N6O5

M.W.:
540.53

8 activity values

4 unique targets

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
150.72

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4795442

Name:
(R)-N-(2-(difluoromethoxy)benzyl)-N-(1-(methylamino)-1-oxopropan-2-yl)-2-(pShow More⌵

Mol. Formula:
C21H25F2N5O4

M.W.:
449.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4793594

Name:
N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(3-methylpyrShow More⌵

Mol. Formula:
C21H25F2N5O4

M.W.:
449.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4792942

Name:
N-(2-(difluoromethoxy)benzyl)-1-methyl-N-(2-(methylamino)-2-oxoethyl)-5-(pyShow More⌵

Mol. Formula:
C22H26F2N4O4

M.W.:
448.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
83.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4790917

Name:
N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(piperidine-Show More⌵

Mol. Formula:
C19H21F2N5O4

M.W.:
421.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4789883

Name:
N-(2-chloro-6-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(pyShow More⌵

Mol. Formula:
C20H22ClF2N5O4

M.W.:
469.88

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4787765

Name:
N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-5-(pyrrolidineShow More⌵

Mol. Formula:
C21H24F2N4O4

M.W.:
434.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
94.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4787363

Name:
N-((1H-indol-4-yl)methyl)-N-(2-(methylamino)-2-oxoethyl)-5-(pyrrolidine-1-cShow More⌵

Mol. Formula:
C22H25N5O3

M.W.:
407.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
101.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4786426

Name:
N-(2-(difluoromethoxy)benzyl)-2-(isoindoline-2-carbonyl)-N-(2-(methylamino)Show More⌵

Mol. Formula:
C24H23F2N5O4

M.W.:
483.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4785897

Name:
N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(2-methylpyrShow More⌵

Mol. Formula:
C21H25F2N5O4

M.W.:
449.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4785659

Name:
N-(2-(difluoromethoxy)benzyl)-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrolShow More⌵

Mol. Formula:
C19H21F2N3O3

M.W.:
377.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
65.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4785563

Name:
N-benzyl-N-(2-(methylamino)-2-oxoethyl)-2-(pyrrolidine-1-carbonyl)-1H-imidaShow More⌵

Mol. Formula:
C19H23N5O3

M.W.:
369.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
98.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4784347

Name:
2-(azetidine-1-carbonyl)-N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2Show More⌵

Mol. Formula:
C21H25F2N5O4

M.W.:
449.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4781976

Name:
N-(2-(difluoromethoxy)benzyl)-2-(3-methoxypyrrolidine-1-carbonyl)-N-(2-(metShow More⌵

Mol. Formula:
C21H25F2N5O5

M.W.:
465.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.26

Polar Surface Area:
116.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4779445

Name:
N-(2-methoxybenzyl)-N-(2-(methylamino)-2-oxoethyl)-5-(pyrrolidine-1-carbonyShow More⌵

Mol. Formula:
C21H26N4O4

M.W.:
398.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
94.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4778091

Name:
N-(2-(difluoromethoxy)-4-methoxybenzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(pShow More⌵

Mol. Formula:
C21H25F2N5O5

M.W.:
465.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
116.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4777281

Name:
2-(3-acetamidopyrrolidine-1-carbonyl)-N-(2-(difluoromethoxy)benzyl)-N-(2-(mShow More⌵

Mol. Formula:
C22H26F2N6O5

M.W.:
492.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.75

Polar Surface Area:
136.73

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4776433

Name:
N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methyl)-N-(2-(methylamino)-2-Show More⌵

Mol. Formula:
C23H28N4O5

M.W.:
440.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
103.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4764405

Name:
N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(3-phenylpyrShow More⌵

Mol. Formula:
C26H27F2N5O4

M.W.:
511.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
107.63

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS