Compounds

ALA3735014

Name:
(S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-2-yl)methy
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Mol. Formula:
C47H65N11O7

M.W.:
896.11

1 activity values

1 unique targets

Type:
Protein

AlogP:
1.53

Polar Surface Area:
272.60

HBA:
8

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3736513

Name:
(S)-2-(2-((S)-1-(5-bromonicotinamido)-3-methylbuty
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Mol. Formula:
C22H30BrN7O5

M.W.:
552.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
196.32

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3736325

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-p
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Mol. Formula:
C29H36N6O6

M.W.:
564.64

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3735404

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-(
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Mol. Formula:
C29H36N8O5

M.W.:
576.66

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
208.15

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3734951

Name:
(S)-2-(2-((S)-1-(3-benzylureido)-3-methylbutyl)-5-
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Mol. Formula:
C24H35N7O5

M.W.:
501.59

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
195.46

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3736340

Name:
(S)-2-(2-((S)-1-(2-(2,5-dimethoxyphenyl)acetamido)
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Mol. Formula:
C26H38N6O7

M.W.:
546.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
201.89

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3735180

Name:
(S)-2-(2-((S)-1-(2-(3,4-dimethoxyphenyl)acetamido)
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Mol. Formula:
C26H38N6O7

M.W.:
546.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
201.89

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3736115

Name:
(S)-5-guanidino-2-(2-((S)-1-(3-methoxybenzamido)-3
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Mol. Formula:
C24H34N6O6

M.W.:
502.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735332

Name:
(S)-5-guanidino-2-(2-((S)-1-(3-(4-methoxyphenyl)pr
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Mol. Formula:
C26H38N6O6

M.W.:
530.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3735774

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(phe
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Mol. Formula:
C23H32N6O7S

M.W.:
536.61

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
217.57

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735495

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(4-methoxyphenyl)ac
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Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3735358

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(3-methoxyphenyl)ac
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Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3734890

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(2-methoxyphenyl)ac
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Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3736337

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-(
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Mol. Formula:
C24H31F3N6O5

M.W.:
540.54

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735586

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-m
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Mol. Formula:
C22H38N6O5

M.W.:
466.58

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3734935

Name:
(S)-2-(2-((S)-1-(3,3-dimethylbutanamido)-3-methylb
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Mol. Formula:
C22H38N6O5

M.W.:
466.58

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3736394

Name:
(S)-2-(2-((S)-1-(2-cyclohexylacetamido)-3-methylbu
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Mol. Formula:
C24H40N6O5

M.W.:
492.62

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3735150

Name:
(S)-2-(2-((S)-1-(cyclohexanecarboxamido)-3-methylb
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Mol. Formula:
C23H38N6O5

M.W.:
478.59

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3735977

Name:
(S)-5-guanidino-2-(2-((S)-1-(isonicotinamido)-3-me
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Mol. Formula:
C22H31N7O5

M.W.:
473.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
196.32

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3735664

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(nic
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Mol. Formula:
C22H31N7O5

M.W.:
473.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
196.32

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS