Compounds

ALA1950288

Name:
Trans-1-(6-(6-(1-((S)-2-(2-(2-amino-2-oxoethyl)-2-
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Mol. Formula:
C56H74N8O15S2

M.W.:
1163.38

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1950287

Name:
1-(6-(6-((S)-1-((S)-2-(2-(2-amino-2-oxoethyl)-2-((
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Mol. Formula:
C56H76N8O14S2

M.W.:
1149.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1950286

Name:
1-(6-(6-((S)-2-(2-(2-amino-2-oxoethyl)-2-((E)-4-et
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Mol. Formula:
C53H71N7O13S2

M.W.:
1078.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1950285

Name:
trans-1-(6-(6-((S)-2-(2-(2-amino-2-oxoethyl)-2-(3-
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Mol. Formula:
C52H69N7O14S2

M.W.:
1080.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1950284

Name:
trans-ethyl 3-(2-((S)-1-((S)-2-acetamidopent-4-yno
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Mol. Formula:
C20H27N5O8

M.W.:
465.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.82

Polar Surface Area:
180.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1950283

Name:
Trans-ethyl 3-(2-((S)-1-(1-acetamidocyclopropaneca
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Mol. Formula:
C19H27N5O8

M.W.:
453.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.68

Polar Surface Area:
180.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1950282

Name:
Trans-ethyl 3-(2-((S)-1-((S)-2-acetamidobutanoyl)p
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Mol. Formula:
C19H29N5O8

M.W.:
455.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.43

Polar Surface Area:
180.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1950281

Name:
Trans-ethyl 3-(2-((S)-1-acetylpyrrolidine-2-carbon
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Mol. Formula:
C15H22N4O7

M.W.:
370.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.33

Polar Surface Area:
151.64

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1950280

Name:
(S,E)-ethyl 4-(2-(1-acetylpyrrolidine-2-carbonyl)-
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Cas Number:
1312616-49-1

Mol. Formula:
C15H22N4O6

M.W.:
354.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.54

Polar Surface Area:
139.11

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1950279

Name:
(E)-ethyl 4-(2-((S)-1-((S)-2-acetamido-3-(4-hydrox
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Mol. Formula:
C24H30N6O10

M.W.:
562.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.20

Polar Surface Area:
231.58

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1950278

Name:
(S,E)-ethyl 4-(2-(1-(4-(acetamidomethyl)benzoyl)py
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Mol. Formula:
C23H29N5O7

M.W.:
487.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.61

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1950277

Name:
(E)-ethyl 4-(2-((S)-1-((S)-2-acetyl-1,2,3,4-tetrah
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Mol. Formula:
C25H31N5O7

M.W.:
513.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
159.42

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1950276

Name:
(S,E)-ethyl 4-(2-(1-(3-acetamidobenzoyl)pyrrolidin
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Mol. Formula:
C22H27N5O7

M.W.:
473.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1950275

Name:
(E)-ethyl 4-(2-((S)-1-((S)-3-acetylthiazolidine-4-
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Mol. Formula:
C19H27N5O7S

M.W.:
469.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.64

Polar Surface Area:
159.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1950274

Name:
(E)-ethyl 4-(2-((S)-1-((R)-1-acetylpiperidine-2-ca
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Mol. Formula:
C21H31N5O7

M.W.:
465.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.16

Polar Surface Area:
159.42

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1950273

Name:
(E)-ethyl 4-(2-((S)-1-((S)-2-acetamidopent-4-ynoyl
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Mol. Formula:
C20H27N5O7

M.W.:
449.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.03

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1950272

Name:
(S,E)-ethyl 4-(2-(1-(2-acetamido-2-methylpropanoyl
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Mol. Formula:
C19H29N5O7

M.W.:
439.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.64

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1950112

Name:
(S,E)-ethyl 4-(2-(1-(1-acetamidocyclopropanecarbon
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Mol. Formula:
C19H27N5O7

M.W.:
437.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.89

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1950111

Name:
(S,E)-ethyl 4-(2-(1-(2-acetamido-3-methylbut-2-eno
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Mol. Formula:
C20H29N5O7

M.W.:
451.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.13

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1950110

Name:
(E)-ethyl 4-(2-((S)-1-(-2-acetamidobut-2-enoyl)pyr
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Mol. Formula:
C19H27N5O7

M.W.:
437.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.52

Polar Surface Area:
168.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS