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ALA4513241 Name:
NA
Mol. Formula:
C14H15N3NaO8P
M.W.:
407.25
Type:
Unknown
AlogP:
0.21
Polar Surface Area:
160.30
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4539530 Name:
(1S,2S,3R,4R,5S)-1-(4-Amino-5-iodo-7H-pyrrolo[2,3-
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Mol. Formula:
C13H16IN5O2
M.W.:
401.21
Type:
Unknown
AlogP:
-0.36
Polar Surface Area:
123.21
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4525611 Name:
(1S,2S,3R,4R,5S)-1-(4-Amino-5-iodo-7H-pyrrolo[2,3-
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Mol. Formula:
C13H14IN7O2
M.W.:
427.21
Type:
Unknown
AlogP:
1.00
Polar Surface Area:
145.95
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4519937 Name:
(1R,2S,3R,4R,5S)-1-(4-Chloro-5-iodo-7H-pyrrolo[2,3
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Mol. Formula:
C13H13ClIN3O3
M.W.:
421.62
Type:
Unknown
AlogP:
0.75
Polar Surface Area:
91.40
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4560021 Name:
(1R,2S,3R,4S,5S)-1-(5-(4-Fluorophenyl)-4-(phenylam
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Mol. Formula:
C25H23FN4O2
M.W.:
430.48
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
83.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4556133 Name:
NA
Mol. Formula:
C15H18N4NaO7P
M.W.:
420.29
Type:
Unknown
AlogP:
-0.04
Polar Surface Area:
152.09
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4571377 Name:
(1R,2R,3S,4R,5S)-4-(4-Amino-5-iodo-7H-pyrrolo[2,3-
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Mol. Formula:
C13H15IN4O3
M.W.:
402.19
Type:
Unknown
AlogP:
-0.11
Polar Surface Area:
117.42
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4570382 Name:
(1R,2S,3R,4S,5S)-1-(4-((4-Fluorophenyl)amino)-5-ph
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Mol. Formula:
C25H23FN4O2
M.W.:
430.48
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
83.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4518728 Name:
(1R,2S,3R,4R,5S)-1-(4-Amino-5-iodo-7H-pyrrolo[2,3-
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Mol. Formula:
C13H15IN4O3
M.W.:
402.19
Type:
Unknown
AlogP:
-0.32
Polar Surface Area:
117.42
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4460859 Name:
N7-[(1'R,2'S,3'R,4'S)-2',3'-Dihydroxy-4'-aminocycl
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Mol. Formula:
C10H13IN6O2
M.W.:
376.16
Type:
Unknown
AlogP:
-0.99
Polar Surface Area:
136.10
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4100457 Name:
4-Methylsulfanyl-8-(beta-D-ribofuranosyl)-8H-thien
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Mol. Formula:
C14H15N3O4S2
M.W.:
353.43
Type:
Small molecule
AlogP:
0.98
Polar Surface Area:
100.63
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4472686 Name:
(1R,2S,3R,4R,5S)-4-(Hydroxymethyl)-1-(5-iodo-4-(ph
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Mol. Formula:
C19H19IN4O3
M.W.:
478.29
Type:
Unknown
AlogP:
1.84
Polar Surface Area:
103.43
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4062283 Name:
4-Methylsulfanyl-8-(beta-D-ribofuranosyl)-8H-thien
Show More⌵
Mol. Formula:
C14H15N3NaO7PS2
M.W.:
455.39
Type:
Small molecule
AlogP:
1.10
Polar Surface Area:
147.16
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4084001 Name:
4-(Methylsulfanyl)-8-(beta-D-ribofuranosyl)-8H-thi
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Mol. Formula:
C14H15N3NaO7PS2
M.W.:
455.39
Type:
Small molecule
AlogP:
1.10
Polar Surface Area:
147.16
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5283680 Name:
5'-O-[N-(D-alanyl)-sulfamoyl]adenosine
Mol. Formula:
C14H21N7O7S
M.W.:
431.43
Type:
---
AlogP:
-3.38
Polar Surface Area:
217.80
HBA:
13
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4458520 Name:
(1S,2S,3R,4S,5S)-4-Amino-1-(4-amino-5-iodo-7H-pyrr
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Mol. Formula:
C12H14IN5O2
M.W.:
387.18
Type:
Unknown
AlogP:
-0.60
Polar Surface Area:
123.21
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4448716 Name:
5-Methylbenzo[4,5]imidazo[1,2-c]thieno[3,2-e]pyrim
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Mol. Formula:
C15H11N3O2S
M.W.:
297.34
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
56.49
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4441282 Name:
4-amino-3-iodo-1-beta-D-ribofuranosylpyrazolo[3,4-
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Cas Number:
144928-33-6
Mol. Formula:
C10H12IN5O4
M.W.:
393.14
Type:
Unknown
AlogP:
-1.38
Polar Surface Area:
139.54
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4439949 Name:
(1R,2S,3R,4R,5S)-4-(Hydroxymethyl)-1-(5-phenyl-4-(
Show More⌵
Mol. Formula:
C25H24N4O3
M.W.:
428.49
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
103.43
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4217077 Name:
(+/-)-4-(4-Fluorobenzyl)-7-morpholin-4-yl-2-naphth
Show More⌵
Mol. Formula:
C29H25FN2O3
M.W.:
468.53
Type:
Small molecule
AlogP:
5.48
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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