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ALA4476829 Name:
3,5-diamino-N-carbamimidoyl-6-(2,6-dimethoxypyridi
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Mol. Formula:
C13H16N8O3
M.W.:
332.32
Type:
Unknown
AlogP:
-0.66
Polar Surface Area:
188.14
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4520324 Name:
(S)-N-(4-carbamimidoylbenzyl)-2-((R)-3-hydroxy-2-(
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Mol. Formula:
C28H33N5O5S
M.W.:
551.67
Type:
Unknown
AlogP:
1.18
Polar Surface Area:
174.47
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4554541 Name:
3,5-diamino-N-carbamimidoyl-6-(5-chlorobenzofuran-
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Mol. Formula:
C14H12ClN7O2
M.W.:
345.75
Type:
Unknown
AlogP:
1.33
Polar Surface Area:
169.93
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4551391 Name:
3,5-diamino-N-carbamimidoyl-6-(2,3-dihydrobenzofur
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Mol. Formula:
C14H15N7O2
M.W.:
313.32
Type:
Unknown
AlogP:
-0.13
Polar Surface Area:
166.02
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4571268 Name:
3,5-diamino-6-(5-bromobenzofuran-2-yl)-N-carbamimi
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Mol. Formula:
C14H12BrN7O2
M.W.:
390.20
Type:
Unknown
AlogP:
1.44
Polar Surface Area:
169.93
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4527266 Name:
3,5-diamino-N-carbamimidoyl-6-(5-cyanobenzofuran-2
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Mol. Formula:
C15H12N8O2
M.W.:
336.32
Type:
Unknown
AlogP:
0.55
Polar Surface Area:
193.72
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4547122 Name:
3,5-diamino-N-carbamimidoyl-6-(6-methoxybenzofuran
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Mol. Formula:
C15H15N7O3
M.W.:
341.33
Type:
Unknown
AlogP:
0.69
Polar Surface Area:
179.16
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4546029 Name:
3,5-diamino-6-(benzo[b]thiophen-2-yl)-N-carbamimid
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Mol. Formula:
C14H13N7OS
M.W.:
327.37
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
156.79
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4576924 Name:
3,5-diamino-6-(thiophen-2-yl)-N-carbamimidoylpyraz
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Mol. Formula:
C10H11N7OS
M.W.:
277.31
Type:
Unknown
AlogP:
-0.01
Polar Surface Area:
156.79
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4575138 Name:
3,5-diamino-N-carbamimidoyl-6-(5-methylbenzofuran-
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Mol. Formula:
C15H15N7O2
M.W.:
325.33
Type:
Unknown
AlogP:
0.99
Polar Surface Area:
169.93
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4589488 Name:
3,5-diamino-N-carbamimidoyl-6-(4-(methylthio)pheny
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Mol. Formula:
C13H15N7OS
M.W.:
317.38
Type:
Unknown
AlogP:
0.65
Polar Surface Area:
156.79
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4550786 Name:
3,5-diamino-6-(benzofuran-5-yl)-N-carbamimidoylpyr
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Mol. Formula:
C14H13N7O2
M.W.:
311.31
Type:
Unknown
AlogP:
0.68
Polar Surface Area:
169.93
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3800401 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1R)-1-[2,5-dio
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Mol. Formula:
C35H39N7O4
M.W.:
621.74
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
146.58
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3798282 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1R,2R)-1-[2,5-
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Mol. Formula:
C35H39N7O4
M.W.:
621.74
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
146.58
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3797774 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1S)-1-[2,5-dio
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Mol. Formula:
C34H37N7O4
M.W.:
607.71
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
146.58
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3800020 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1R)-1-[2,5-dio
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Mol. Formula:
C32H33N7O4
M.W.:
579.66
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
146.58
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3799525 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1S)-1-[2,5-dio
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Mol. Formula:
C32H33N7O4
M.W.:
579.66
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
146.58
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3799182 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1R)-1-[2,5-dio
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Mol. Formula:
C31H32N8O4
M.W.:
580.65
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
159.47
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3800112 Name:
N-[(1S)-5-Amino-1-cyano-pentyl]-2-[(1S)-1-[2,5-dio
Show More⌵
Mol. Formula:
C31H32N8O4
M.W.:
580.65
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
159.47
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3799329 Name:
N-[(1S)-5-Amino-1-cyanopentyl]-2-[(1R)-1-[3-(4-flu
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Mol. Formula:
C26H28FN7O3
M.W.:
505.55
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
137.35
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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