Compounds

ALA5282572

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-ox
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Mol. Formula:
C19H27ClFN3O3

M.W.:
399.89

Type:
---

AlogP:
1.52

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282531

Name:
benzyl N-[(2S)-1-{4-[(2R)-2-[(naphthalen-1-yl)form
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Mol. Formula:
C41H45N5O6

M.W.:
703.84

Type:
---

AlogP:
4.62

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5281708

Name:
benzyl N-[(2S)-1-{4-[(2S)-2-[(naphthalen-1-yl)form
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Mol. Formula:
C41H45N5O6

M.W.:
703.84

Type:
---

AlogP:
4.62

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280429

Name:
N-[(1S)-1-benzyl-2-[4-[(2S)-2-[[2-(2-bromophenyl)a
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Mol. Formula:
C41H44BrN5O5

M.W.:
766.74

Type:
---

AlogP:
4.81

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280079

Name:
N-[(1R)-2-[4-[(2S)-2-[[2-(2-chlorophenyl)acetyl]am
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Mol. Formula:
C35H40ClN5O5

M.W.:
646.19

Type:
---

AlogP:
3.48

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5279900

Name:
N-[(1S)-2-[4-[(2S)-2-[[2-(2,4-difluorophenyl)acety
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Mol. Formula:
C35H39F2N5O5

M.W.:
647.72

Type:
---

AlogP:
3.11

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5279745

Name:
benzyl N-[(2S)-1-{4-[(2S)-2-[(naphthalen-1-yl)form
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Mol. Formula:
C35H41N5O6

M.W.:
627.74

Type:
---

AlogP:
3.40

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5279051

Name:
N-[(2R)-1-{4-[(2S)-2-[2-(2-methylphenyl)acetamido]
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Mol. Formula:
C36H43N5O5

M.W.:
625.77

Type:
---

AlogP:
3.14

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5278623

Name:
N-[(1S)-2-[4-[(2S)-2-[[2-(2-chlorophenyl)acetyl]am
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Mol. Formula:
C35H40ClN5O5

M.W.:
646.19

Type:
---

AlogP:
3.48

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5278546

Name:
N-[(1S)-2-[4-[(2S)-2-[[2-(2-bromophenyl)acetyl]ami
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Mol. Formula:
C35H40BrN5O5

M.W.:
690.64

Type:
---

AlogP:
3.59

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5278364

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-ox
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Mol. Formula:
C21H28F3N3O3

M.W.:
427.47

Type:
---

AlogP:
2.11

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278250

Name:
benzyl N-[(2S)-1-{4-[(2R)-4-methyl-2-[(naphthalen-
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Mol. Formula:
C38H47N5O6

M.W.:
669.82

Type:
---

AlogP:
4.42

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5287371

Name:
N-[(1R)-1-benzyl-2-[4-[(2S)-2-[[2-(2-chlorophenyl)
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Mol. Formula:
C41H44ClN5O5

M.W.:
722.29

Type:
---

AlogP:
4.71

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5287363

Name:
N-[(2S)-1-{4-[(2S)-2-[2-(2-methylphenyl)acetamido]
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Mol. Formula:
C42H47N5O5

M.W.:
701.87

Type:
---

AlogP:
4.36

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5287221

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-ox
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Mol. Formula:
C24H32N4O3

M.W.:
424.55

Type:
---

AlogP:
1.85

Polar Surface Area:
93.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5286731

Name:
benzyl N-[(1S)-1-{[(2S)-3-methyl-1-[4-(naphthalene
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Mol. Formula:
C37H45N5O6

M.W.:
655.80

Type:
---

AlogP:
4.03

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5286079

Name:
benzyl N-[(2S)-1-{4-[(2R)-3-methyl-2-[(naphthalen-
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Mol. Formula:
C37H45N5O6

M.W.:
655.80

Type:
---

AlogP:
4.03

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5285828

Name:
N-[(2S)-1-{4-[(2S)-2-[2-(2-methylphenyl)acetamido]
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Mol. Formula:
C36H43N5O5

M.W.:
625.77

Type:
---

AlogP:
3.14

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5291135

Name:
N-[(1R)-2-[4-[(2S)-2-[[2-(2-bromophenyl)acetyl]ami
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Mol. Formula:
C35H40BrN5O5

M.W.:
690.64

Type:
---

AlogP:
3.59

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5291124

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-ox
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Mol. Formula:
C18H25N3O2S

M.W.:
347.48

Type:
---

AlogP:
1.98

Polar Surface Area:
52.98

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS