Compounds

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
121.12

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4217057

Name:
(2S)-2-Amino-5-carbamimidamido-N-(pyridin-3-ylmeth
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Mol. Formula:
C12H20N6O

M.W.:
264.33

Type:
Small molecule

AlogP:
-0.71

Polar Surface Area:
129.91

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4211916

Name:
(2S)-2-Amino-5-carbamimidamido-N-(pyridin-4-ylmeth
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Mol. Formula:
C12H20N6O

M.W.:
264.33

Type:
Small molecule

AlogP:
-0.71

Polar Surface Area:
129.91

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4211804

Name:
(S,E)-2-amino-5-(2-hydroxyguanidino)-N-(pyridin-4-
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Mol. Formula:
C12H20N6O2

M.W.:
280.33

Type:
Small molecule

AlogP:
-0.90

Polar Surface Area:
138.65

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4210349

Name:
(2S)-2-Amino-5-carbamimidamido-N-methyl-N-(pyridin
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Mol. Formula:
C13H22N6O

M.W.:
278.36

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
121.12

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4207442

Name:
(S,E)-2-acetamido-5-(2-hydroxyguanidino)-N-(pyridi
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Mol. Formula:
C14H22N6O3

M.W.:
322.37

Type:
Small molecule

AlogP:
-0.72

Polar Surface Area:
141.73

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4206914

Name:
(S)-2-((S)-2-amino-5-guanidinopentanamido)-3-(pyri
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Mol. Formula:
C14H22N6O3

M.W.:
322.37

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
167.21

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4206486

Name:
(2S)-2-Amino-5-carbamimidamido-N-[1-(pyridin-4-yl)
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Mol. Formula:
C13H22N6O

M.W.:
278.36

Type:
Small molecule

AlogP:
-0.15

Polar Surface Area:
129.91

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4206405

Name:
(2S)-2-Amino-5-carbamimidamido-N-[1-(pyridin-3-yl)
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Mol. Formula:
C13H22N6O

M.W.:
278.36

Type:
Small molecule

AlogP:
-0.15

Polar Surface Area:
129.91

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4202560

Name:
(E)-5-(2-hydroxyguanidino)-N-(pyridin-4-ylmethyl)p
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Mol. Formula:
C12H19N5O2

M.W.:
265.32

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
112.63

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4172371

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-4-(m
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Mol. Formula:
C15H26Cl2N4OS

M.W.:
381.37

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
91.00

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4171523

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-(1
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Mol. Formula:
C21H27Cl2N5O

M.W.:
436.39

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
106.79

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4171037

Name:
(S)-N1-(3-(acetimidamidomethyl)benzyl)-2-aminopent
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Mol. Formula:
C15H25Cl2N5O2

M.W.:
378.30

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
134.09

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4170892

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-hy
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Mol. Formula:
C13H22Cl2N4O2

M.W.:
337.25

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
111.23

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4164493

Name:
(R)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-me
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Mol. Formula:
C13H22Cl2N4OS

M.W.:
353.32

Type:
Small molecule

AlogP:
0.65

Polar Surface Area:
91.00

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4163633

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-(4
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Mol. Formula:
C19H26Cl2N4O2

M.W.:
413.35

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
111.23

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4162963

Name:
(2S,3R)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-
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Mol. Formula:
C14H24Cl2N4O2

M.W.:
351.28

Type:
Small molecule

AlogP:
0.10

Polar Surface Area:
111.23

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4161718

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-ph
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Mol. Formula:
C19H26Cl2N4O

M.W.:
397.35

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
91.00

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4161080

Name:
(S)-N-(3-(acetimidamidomethyl)benzyl)-2-amino-3-me
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Mol. Formula:
C15H26Cl2N4O

M.W.:
349.31

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
91.00

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4160751

Name:
(S)-N1-(3-(acetimidamidomethyl)benzyl)-2-aminosucc
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Mol. Formula:
C14H23Cl2N5O2

M.W.:
364.28