Compounds

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
163.47

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3357213

Name:
(3R,4R,5S)-4-acetamido-N-(butylsulfonyl)-5-guanidi
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Mol. Formula:
C19H35N5O5S

M.W.:
445.59

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
163.47

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3357212

Name:
(3R,4R,5S)-4-acetamido-5-guanidino-3-(pentan-3-ylo
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Mol. Formula:
C16H26F3N5O5S

M.W.:
457.48

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
163.47

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3357211

Name:
(3R,4R,5S)-4-acetamido-5-guanidino-N-(methylsulfon
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Mol. Formula:
C16H29N5O5S

M.W.:
403.51

6 activity values

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
163.47

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3357210

Name:
(3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)-
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Mol. Formula:
C20H29N3O5S

M.W.:
423.54

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
127.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3357209

Name:
(3R,4R,5S)-4-acetamido-5-amino-N-(butylsulfonyl)-3
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Mol. Formula:
C18H33N3O5S

M.W.:
403.55

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
127.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3357208

Name:
(3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)-
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Mol. Formula:
C15H24F3N3O5S

M.W.:
415.43

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
127.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3357207

Name:
(3R,4R,5S)-4-acetamido-5-amino-N-(methylsulfonyl)-
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Mol. Formula:
C15H27N3O5S

M.W.:
361.46

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
127.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3357206

Name:
(3R,4R,5S)-N-(3-(1H-indol-2-yl)propoxy)-4-acetamid
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Mol. Formula:
C26H38N6O4

M.W.:
498.63

6 activity values

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
154.35

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3357205

Name:
(3R,4R,5S)-4-acetamido-N-(benzyloxy)-5-guanidino-3
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Mol. Formula:
C22H33N5O4

M.W.:
431.54

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
138.56

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3357204

Name:
(3R,4R,5S)-4-acetamido-5-guanidino-N-methoxy-3-(pe
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Mol. Formula:
C16H29N5O4

M.W.:
355.44

6 activity values

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
138.56

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3357203

Name:
(3R,4R,5S)-N-(3-(1H-indol-2-yl)propoxy)-4-acetamid
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Mol. Formula:
C25H36N4O4

M.W.:
456.59

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
118.47

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3357202

Name:
(3R,4R,5S)-4-acetamido-5-amino-N-(benzyloxy)-3-(pe
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Mol. Formula:
C21H31N3O4

M.W.:
389.50

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
102.68

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3357201

Name:
(3R,4R,5S)-4-acetamido-5-amino-N-methoxy-3-(pentan
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Mol. Formula:
C15H27N3O4

M.W.:
313.40

Type:
Small molecule

AlogP:
0.40

Polar Surface Area:
102.68

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3342331

Name:
(3R,4R,5S)-4-Acetamido-5-amino-N-hydroxy-3-(pentan
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Mol. Formula:
C14H25N3O4

M.W.:
299.37

9 activity values