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ALA3392212 Name:
2-[(3-Amino-propenylamino)-methyl]-5-(6-amino-puri
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Mol. Formula:
C13H19N7O3
M.W.:
321.34
Type:
Small molecule
AlogP:
-1.91
Polar Surface Area:
157.36
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3392182 Name:
2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-t
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Mol. Formula:
C16H25IN6O5S
M.W.:
540.38
Type:
Small molecule
AlogP:
-1.53
Polar Surface Area:
182.63
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3392141 Name:
2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-am
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Mol. Formula:
C14H25Cl2N7O3
M.W.:
410.31
Type:
Small molecule
AlogP:
-1.69
Polar Surface Area:
148.57
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1202794 Name:
4-Amidino-6-acetylpyridine 2'-Amidinohydrazone dih
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Mol. Formula:
C9H15Cl2N7
M.W.:
292.17
Type:
Small molecule
AlogP:
-0.64
Polar Surface Area:
139.52
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
Type:
Small molecule
AlogP:
-0.11
Polar Surface Area:
126.63
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1202792 Name:
2-Amidino-6-acetylpyridine 2'-Amidinohydrazone dih
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Mol. Formula:
C9H15Cl2N7
M.W.:
292.17
Type:
Small molecule
AlogP:
-0.64
Polar Surface Area:
139.52
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1088977 Name:
2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-t
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Mol. Formula:
C15H22N6O5S
M.W.:
398.45
Type:
Small molecule
AlogP:
-3.26
Polar Surface Area:
185.46
HBA:
11
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA611902 Name:
3-{[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydr
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Mol. Formula:
C14H19N7O3
M.W.:
333.35
Type:
Small molecule
AlogP:
-1.13
Polar Surface Area:
146.34
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA611588 Name:
N-[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro
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Mol. Formula:
C11H16N8O3
M.W.:
308.30
Type:
Small molecule
AlogP:
-2.49
Polar Surface Area:
181.21
HBA:
9
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA610704 Name:
2-[(3-Amino-propylamino)-methyl]-5-(6-amino-purin-
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Mol. Formula:
C13H21N7O3
M.W.:
323.36
Type:
Small molecule
AlogP:
-2.03
Polar Surface Area:
157.36
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA610142 Name:
2-(6-Amino-purin-9-yl)-5-[(3-methylamino-propylami
Show More⌵
Mol. Formula:
C14H23N7O3
M.W.:
337.38
Type:
Small molecule
AlogP:
-1.77
Polar Surface Area:
143.37
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA610141 Name:
2-[(2-Amino-ethylamino)-methyl]-5-(6-amino-purin-9
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Mol. Formula:
C12H19N7O3
M.W.:
309.33
Type:
Small molecule
AlogP:
-2.42
Polar Surface Area:
157.36
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA604606 Name:
2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-am
Show More⌵
Mol. Formula:
C14H23N7O3
M.W.:
337.38
Type:
Small molecule
AlogP:
-1.69
Polar Surface Area:
148.57
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA538110 Name:
(3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd
Show More⌵
Mol. Formula:
C14H23BrN6O3S
M.W.:
435.35
Type:
Small molecule
AlogP:
-1.38
Polar Surface Area:
145.33
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA540135 Name:
[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-f
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Mol. Formula:
C12H18IN5O3S
M.W.:
439.28
Type:
Small molecule
AlogP:
-1.09
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
Type:
Small molecule
AlogP:
-1.69
Polar Surface Area:
148.52
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA191400 Name:
(2Z)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}
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Mol. Formula:
C5H12N8
M.W.:
184.21
Type:
Small molecule
AlogP:
-1.69
Polar Surface Area:
148.52
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA151222 Name:
4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-c
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Mol. Formula:
C12H12N6
M.W.:
240.27
Type:
Small molecule
AlogP:
0.71
Polar Surface Area:
125.52
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA151197 Name:
2,2'-bipyridine-6,6'-dicarboximidamide
Cas Number:
144205-77-6
Mol. Formula:
C12H12N6
M.W.:
240.27
Type:
Small molecule
AlogP:
0.71
Polar Surface Area:
125.52
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA151196 Name:
(2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}propyl
Show More⌵
Mol. Formula:
C11H16N6
M.W.:
232.29
Type:
Small molecule
AlogP:
0.36
Polar Surface Area:
126.63
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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