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ALA1091914 Name:
(S)-4-(((1-(2-(amino(iminio)methylamino)ethyl)-1H-
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Mol. Formula:
C20H32ClN13O5
M.W.:
570.02
Type:
Small molecule
AlogP:
-3.59
Polar Surface Area:
278.48
HBA:
15
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1091913 Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin
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Mol. Formula:
C17H23N7O5
M.W.:
405.42
Type:
Small molecule
AlogP:
-2.24
Polar Surface Area:
185.87
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1093967 Name:
(S)-tert-butyl 4-((((3aR,4R,6R,6aR)-6-(6-amino-9H-
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Mol. Formula:
C29H43N7O7
M.W.:
601.71
Type:
Small molecule
AlogP:
2.39
Polar Surface Area:
165.18
HBA:
13
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1093966 Name:
(S)-4-((5-(amino(iminio)methylamino)pentyl)(((2R,3
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Mol. Formula:
C20H35ClN10O5
M.W.:
531.02
Type:
Small molecule
AlogP:
-2.21
Polar Surface Area:
247.77
HBA:
12
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1090536 Name:
(S)-4-((4-(amino(iminio)methylamino)butyl)(((2R,3S
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Mol. Formula:
C19H33ClN10O5
M.W.:
516.99
Type:
Small molecule
AlogP:
-2.61
Polar Surface Area:
247.77
HBA:
12
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1088868 Name:
(S)-4-((3-(amino(iminio)methylamino)propyl)(((2R,3
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Mol. Formula:
C18H31ClN10O5
M.W.:
502.96
Type:
Small molecule
AlogP:
-3.00
Polar Surface Area:
247.77
HBA:
12
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4755950 Name:
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-(4,5-dihydro
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Mol. Formula:
C22H19N5O
M.W.:
369.43
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
77.71
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4777245 Name:
(Z)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-(6-(4,5-
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Mol. Formula:
C24H21N5O
M.W.:
395.47
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
77.71
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5209034 Name:
Methyl 4-Hydroxy-6-(5-(3-methylguanidino)pentanami
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Mol. Formula:
C19H24N4O4
M.W.:
372.43
Type:
---
AlogP:
2.18
Polar Surface Area:
123.54
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5208851 Name:
6-(5-(3,3-Dimethylguanidino)pentanamido)-4-hydroxy
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Mol. Formula:
C19H24N4O4
M.W.:
372.43
Type:
---
AlogP:
2.44
Polar Surface Area:
125.75
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5208323 Name:
Methyl 6-(5-(3,3-Dimethylguanidino)pentanamido)-4-
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Mol. Formula:
C20H26N4O4
M.W.:
386.45
Type:
---
AlogP:
2.53
Polar Surface Area:
114.75
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5206272 Name:
Methyl 6-(3-(5-(3-(((2R,3S,4R,5R)-5-(6-Amino-9H-pu
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Mol. Formula:
C29H36N10O7
M.W.:
636.67
Type:
---
AlogP:
0.78
Polar Surface Area:
254.88
HBA:
13
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5206099 Name:
6-(3-(4-Guanidinobutyl)ureido)-4-hydroxy-2-naphtho
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Mol. Formula:
C17H21N5O4
M.W.:
359.39
Type:
---
AlogP:
1.63
Polar Surface Area:
160.56
HBA:
4
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5205933 Name:
6-(3-(3-(1H-Imidazol-1-yl)propyl)ureido)-4-hydroxy
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Mol. Formula:
C18H18N4O4
M.W.:
354.37
Type:
---
AlogP:
2.65
Polar Surface Area:
116.48
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5204851 Name:
Methyl 6-(7-Guanidinoheptanamido)-4-hydroxy-2-naph
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Mol. Formula:
C20H26N4O4
M.W.:
386.45
Type:
---
AlogP:
2.70
Polar Surface Area:
137.53
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5203516 Name:
Methyl 4-Hydroxy-6-(3-(3-(3-methylguanidino)propyl
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Mol. Formula:
C18H23N5O4
M.W.:
373.41
Type:
---
AlogP:
1.59
Polar Surface Area:
135.57
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5203130 Name:
Methyl (S)-6-(2-Amino-4-(methylthio)butanamido)-4-
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Mol. Formula:
C17H20N2O4S
M.W.:
348.42
Type:
---
AlogP:
2.35
Polar Surface Area:
101.65
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5202463 Name:
Methyl 6-(6-Guanidinohexanamido)-4-hydroxy-2-napht
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Mol. Formula:
C19H24N4O4
M.W.:
372.43
Type:
---
AlogP:
2.31
Polar Surface Area:
137.53
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5202088 Name:
Methyl 6-(3-(4-(3-(2-((2R,3S,4R,5R)-5-(6-Amino-9H-
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Mol. Formula:
C29H36N10O7
M.W.:
636.67
Type:
---
AlogP:
0.78
Polar Surface Area:
254.88
HBA:
13
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5200731 Name:
4-Hydroxy-6-(6-(3-methylguanidino)hexanamido)-2-na
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Mol. Formula:
C19H24N4O4
M.W.:
372.43
Type:
---
AlogP:
2.49
Polar Surface Area:
134.54
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
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