Compounds

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4475066

Name:
4-Fluoro-N-((S)-1-oxo-1-(((S,E)-6-oxo-1-phenylhept
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Mol. Formula:
C29H29FN2O3

M.W.:
472.56

10 activity values

3 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4474668

Name:
(S)-1-(((S)-1-(((S,E)-5-((R)-2-Benzyl-3-methoxy-5-
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Mol. Formula:
C43H60N4O7

M.W.:
744.97

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4520591

Name:
4-(cyclopentyl(2,6-difluorobenzyl)amino)-6-morphol
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Mol. Formula:
C20H22F2N6O

M.W.:
400.43

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
78.17

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4519895

Name:
(S)-1-(((S)-1-(((S)-5-((S)-3-Methoxy-2-methyl-5-ox
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Mol. Formula:
C31H54N4O7

M.W.:
594.79

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4527930

Name:
(S)-1-(((S)-1-(((S,E)-5-((S)-3-(Hex-5-yn-1-yloxy)-
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Mol. Formula:
C36H58N4O7

M.W.:
658.88

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4527867

Name:
(S)-1-(((S)-1-(((S,E)-5-((S)-2-Benzyl-3-methoxy-5-
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Mol. Formula:
C43H60N4O7

M.W.:
744.97

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4527329

Name:
(S)-1-(((S)-1-(((S,E)-5-((S)-3-Methoxy-2-methyl-5-
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Mol. Formula:
C37H56N4O7

M.W.:
668.88

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4516952

Name:
(R)-2-(2,4-dibromophenoxy)-N-(3-(methylsulfonyl)al
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Mol. Formula:
C13H15Br2NO4S

M.W.:
441.14

4 activity values

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4515298

Name:
2-Fluoro-N-((S)-1-oxo-1-(((S,E)-6-oxo-1-phenylhept
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Mol. Formula:
C29H29FN2O3

M.W.:
472.56

7 activity values

2 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4514842

Name:
(S)-1-(((S)-1-(((R,E)-5-((R)-2-Benzyl-3-methoxy-5-
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Mol. Formula:
C43H60N4O7

M.W.:
744.97

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4547962

Name:
4-(cyclopentyl(3-fluorobenzyl)amino)-6-morpholino-
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Mol. Formula:
C20H23FN6O

M.W.:
382.44

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
78.17

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4587965

Name:
N-((S)-1-Oxo-1-(((S,E)-6-oxo-1-phenylhept-4-en-3-y
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Mol. Formula:
C30H29F3N2O3

M.W.:
522.57

7 activity values

2 unique targets

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4585022

Name:
4-(cyclopentyl(pyrimidin-4-ylmethyl)amino)-6-morph
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Mol. Formula:
C18H22N8O

M.W.:
366.43

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
103.95

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4584291

Name:
4-Chloro-N-((S)-1-oxo-1-(((S,E)-6-oxo-1-phenylhept
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Mol. Formula:
C29H29ClN2O3

M.W.:
489.02

9 activity values

3 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4582558

Name:
(S)-1-(((S)-1-(((S,E)-5-((R)-2-Benzyl-3-methoxy-5-
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Mol. Formula:
C46H58N4O7

M.W.:
778.99

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
134.35

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4874830

Name:
N-benzyl-N-(2-((cyanomethyl)amino)-2-oxoethyl)-3-i
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Mol. Formula:
C18H16IN3O2

M.W.:
433.25