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ALA1650580 Name:
5,5'-(1-methyl-1H-pyrrole-2,5-diyl)dipicolinimidam
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Mol. Formula:
C17H17N7
M.W.:
319.37
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
130.45
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1650579 Name:
5-(5-(5-carbamimidoylpyridin-2-yl)furan-2-yl)picol
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Mol. Formula:
C16H14N6O
M.W.:
306.33
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
138.66
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1650578 Name:
2-(4-carbamimidoyl-2-methylphenyl)-1H-indole-5-car
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Mol. Formula:
C17H17N5
M.W.:
291.36
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
115.53
HBA:
2
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1650577 Name:
5-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-(4,5-dihydro
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Mol. Formula:
C21H21N5
M.W.:
343.43
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
64.57
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1650576 Name:
5-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-(4,5-dihydro
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Mol. Formula:
C20H19N5
M.W.:
329.41
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
64.57
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1650575 Name:
4,4'-(pyridine-2,6-diyl)dibenzimidamide
Mol. Formula:
C19H17N5
M.W.:
315.38
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
112.63
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1650574 Name:
4,4'-(1-methyl-1H-pyrrole-2,5-diyl)dibenzimidamide
Mol. Formula:
C19H19N5
M.W.:
317.40
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
104.67
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1650573 Name:
4-(2-(4-carbamimidoylphenyl)pyrimidin-4-yl)-3-meth
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Cas Number:
160522-91-8
Mol. Formula:
C19H18N6O
M.W.:
346.39
Type:
Small molecule
AlogP:
2.39
Polar Surface Area:
134.75
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1650572 Name:
4,4'-(thiazole-2,4-diyl)dibenzimidamide
Mol. Formula:
C17H15N5S
M.W.:
321.41
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
112.63
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1650571 Name:
2-(5-(4-carbamimidoyl-3-fluorophenyl)furan-2-yl)-1
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Mol. Formula:
C19H15FN6O
M.W.:
362.37
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
141.56
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1650570 Name:
2-(3-(5-carbamimidoylpyridin-2-yl)phenyl)-1H-benzo
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Mol. Formula:
C20H17N7
M.W.:
355.41
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
141.31
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1650569 Name:
2-(5-(4-carbamimidoyl-2-methylphenyl)furan-2-yl)-1
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Mol. Formula:
C20H18N6O
M.W.:
358.41
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
141.56
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1650568 Name:
7-(5-(4-carbamimidoylphenyl)furan-2-yl)-2-naphthim
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Mol. Formula:
C22H18N4O
M.W.:
354.41
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
112.88
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1650567 Name:
4-(5-(4-carbamimidoylphenyl)furan-2-yl)-3-hydroxyb
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Mol. Formula:
C18H16N4O2
M.W.:
320.35
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
133.11
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1650566 Name:
2-(5-(4-carbamimidoylphenyl)furan-2-yl)benzo[d]oxa
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Mol. Formula:
C19H15N5O2
M.W.:
345.36
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
138.91
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA1650565 Name:
Quinapyramine sulfate
Mol. Formula:
C17H22N6O4S
M.W.:
406.47
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
83.60
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1234147 Name:
2-(3'-carbamimidoylbiphenyl-4-yl)-1H-benzo[d]imida
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Cas Number:
869767-86-2
Mol. Formula:
C21H18N6
M.W.:
354.42
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
128.42
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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