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ALA4744205 Name:
N-(3-(dimethylamino)propyl)-4-(4-(4-formamido-1-me
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Mol. Formula:
C24H33ClN8O4
M.W.:
533.03
Type:
Unknown
AlogP:
1.46
Polar Surface Area:
134.43
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4740847 Name:
N-[3-acetamido-5-(hydroxymethyl)phenyl]-4-[[2-(die
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Unknown
AlogP:
2.67
Polar Surface Area:
110.77
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4762499 Name:
N1-[3-acetamido-5-(chloromethyl)phenyl]-N4-[3-[4-(
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Mol. Formula:
C29H32ClN5O4
M.W.:
550.06
Type:
Unknown
AlogP:
5.17
Polar Surface Area:
119.64
HBA:
5
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4761551 Name:
N1-[3-acetamido-5-(hydroxymethyl)phenyl]-N4-[3-[4-
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Mol. Formula:
C29H33N5O5
M.W.:
531.61
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
139.87
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4759519 Name:
N1-[3-acetamido-5-(chloromethyl)phenyl]-N4-[3-(dim
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Mol. Formula:
C22H27ClN4O3
M.W.:
430.94
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
90.54
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4758715 Name:
N-(3-(dimethylamino)propyl)-1-methyl-4-(1-methyl-4
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Mol. Formula:
C23H31ClN8O5
M.W.:
535.01
Type:
Unknown
AlogP:
1.80
Polar Surface Area:
148.47
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4777966 Name:
N1-[3-acetamido-5-(hydroxymethyl)phenyl]-N4-[3-(di
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
110.77
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4784808 Name:
(E)-N-(3-(dimethylamino)propyl)-1-methyl-4-(1-meth
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Mol. Formula:
C24H32ClN7O4
M.W.:
518.02
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
119.37
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4794561 Name:
N1-[3-acetamido-5-[[tert-butyl(dimethyl)silyl]oxym
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Mol. Formula:
C35H47N5O5Si
M.W.:
645.88
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4748123 Name:
N-[3-acetamido-5-(hydroxymethyl)phenyl]-3-[[2-(die
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Unknown
AlogP:
2.67
Polar Surface Area:
110.77
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4175994 Name:
2-(5-(5-Amidinothiophen-2-yl)furan-2-yl)-1H-indole
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Mol. Formula:
C18H15N5OS
M.W.:
349.42
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
128.67
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4173700 Name:
2-(5'-Amidino-2,2'-bifuran-5-yl)-1H-indole-6-amidi
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Mol. Formula:
C18H15N5O2
M.W.:
333.35
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
141.81
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4173328 Name:
2-(5'-Amidino-2,2'-bifuran-5-yl)-1H-benzimidazole-
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Mol. Formula:
C17H14N6O2
M.W.:
334.34
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
154.70
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4169899 Name:
2-(5'-Amidino-2,2'-bithiophen-5-yl)-1H-benzimidazo
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Mol. Formula:
C17H14N6S2
M.W.:
366.48
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
128.42
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4165378 Name:
2-(5-(5-Amidinofuran-2-yl)thiophen-2-yl)-1H-indole
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Mol. Formula:
C18H15N5OS
M.W.:
349.42
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
128.67
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4162632 Name:
2-(5'-Amidino-2,2'-bithiophen-5-yl)-1H-indole-6-am
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Mol. Formula:
C18H15N5S2
M.W.:
365.49
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
115.53
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4159258 Name:
2-(5-(5-Amidinothiophen-2-yl)furan-2-yl)-1H-benzim
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Mol. Formula:
C17H14N6OS
M.W.:
350.41
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
141.56
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3217179 Name:
2-[(4-Amidino-3-fluorophenyl)ethynyl]-6-amidino-1H
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Mol. Formula:
C18H16Cl2FN5
M.W.:
392.26
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
115.53
HBA:
2
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3216973 Name:
2-(4'-Amidinobiphenyl-4-yl)-6-amidino-1H-indole di
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Mol. Formula:
C22H21Cl2N5
M.W.:
426.35
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
115.53
HBA:
2
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3216972 Name:
2-(4'-Amidinobiphenyl-4-yl)-5-amidino-1H-indole di
Show More⌵
Mol. Formula:
C22H21Cl2N5
M.W.:
426.35
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
115.53
HBA:
2
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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