Compounds

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
86.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4521181

Name:
N-(Cyanomethyl)-3-(3-cyclohexyl-5-methyl-7-oxo-7H-
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Mol. Formula:
C24H26N2O4

M.W.:
406.48

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
87.45

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4534031

Name:
5-(3-(4-Ethylphenyl)-5-methyl-7-oxo-7H-furo[3,2-g]
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Mol. Formula:
C22H15NO5S

M.W.:
405.43

22 activity values

7 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
86.45

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4560024

Name:
5-(3-(4-Bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]
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Mol. Formula:
C20H10BrNO5S

M.W.:
456.27

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
86.45

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4559221

Name:
5-(3-Cyclobutyl-5-methyl-7-oxo-7H-furo[3,2-g]chrom
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Mol. Formula:
C18H13NO5S

M.W.:
355.37

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
86.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4517653

Name:
5-(3-Cyclopentyl-5-methyl-7-oxo-7H-furo[3,2-g]chro
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Mol. Formula:
C19H15NO5S

M.W.:
369.40

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
86.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4516988

Name:
(S)-N4-(tert-butoxy)-N1-((S)-3-(4-fluorophenyl)-1-
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Mol. Formula:
C37H41FN4O5

M.W.:
640.76

10 activity values

4 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
125.63

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4515753

Name:
2,5-Dioxopyrrolidin-1-yl 2-(3-cyclohexyl-5-methyl-
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Mol. Formula:
C24H23NO7

M.W.:
437.45

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
107.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4745162

Name:
(S)-N4-tert-butoxy-2-(2-morpholinoacetamido)-N1-((
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Mol. Formula:
C28H39N5O6

M.W.:
541.65

Type:
Unknown

AlogP:
1.01

Polar Surface Area:
138.10

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4745016

Name:
(S)-N4-tert-butoxy-N1-((S)-1-(naphthalen-1-ylmethy
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Mol. Formula:
C24H29F3N4O5

M.W.:
510.51

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
125.63

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4744524

Name:
(S)-N-((S)-3-methoxy-1-(naphthalen-1-ylmethylamino
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Mol. Formula:
C32H38N4O5

M.W.:
558.68

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
116.84

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4744255

Name:
5-(4-acetylphenyl)-N-((S)-1-(((S)-1-(((S)-1-((3-ac
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Mol. Formula:
C41H44N4O9

M.W.:
736.82

9 activity values

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
189.98

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4743601

Name:
((S)-1-(((S)-1-(((S)-1-((3-acetylphenyl)amino)-5-m
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Mol. Formula:
C40H47N5O7

M.W.:
709.84

9 activity values

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
175.56

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4743273

Name:
((S)-1-(((S)-3-(1H-indol-3-yl)-1-(((S)-5-methyl-1-
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Mol. Formula:
C42H47N5O6

M.W.:
717.87

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
158.49

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4743123

Name:
N-((S)-1-(((S)-3-(4-methoxyphenyl)-1-(((S)-5-methy
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Mol. Formula:
C39H42N4O8

M.W.:
694.79

7 activity values

7 unique targets

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
172.91

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4742723

Name:
((S)-4-methyl-1-(((S)-1-(((S)-5-methyl-1,2-dioxo-1
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Mol. Formula:
C36H44N4O6

M.W.:
628.77

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
142.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4741411

Name:
(S)-N4-tert-butoxy-N1-((S)-1-oxo-1-(quinolin-4-ylm
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Mol. Formula:
C30H37N5O5

M.W.:
547.66

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
138.52

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4741140

Name:
(S)-N5-tert-butyl-N1-((S)-1-((4-fluoronaphthalen-1
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Mol. Formula:
C31H39FN4O6S

M.W.:
614.74

14 activity values

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
142.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4740404

Name:
(S)-N4-tert-butoxy-N1-((S)-1-(naphthalen-1-ylmethy
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Mol. Formula:
C27H32N6O5

M.W.:
520.59

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
151.41

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4765143

Name:
((S)-1-(((S)-1-(((S)-1-((3,5-dimethoxyphenyl)amino
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Mol. Formula:
C35H50N4O8

M.W.:
654.81

9 activity values