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ALA4216002 Name:
sodium(2R,3R,4S)-2-((2S,3R,4R,5R,6R)-3-acetamido-2
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Mol. Formula:
C32H43NNa8O43S6
M.W.:
1505.98
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4210593 Name:
sodium(2R,3R,4S)-2-((2S,3R,4R,5R,6R)-3-acetamido-2
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Mol. Formula:
C52H69N2Na13O70S10
M.W.:
2461.61
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4204328 Name:
sodium(2R,3R,4S)-2-((2S,3R,4S,5R)-2-acetamido-1,5-
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Mol. Formula:
C20H28NNa5O27S4
M.W.:
957.64
Type:
Small molecule
AlogP:
-6.21
Polar Surface Area:
438.64
HBA:
22
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3289046 Name:
N-((trans)-4-Aminocyclohexyl)-3-(4-carbamimidoylph
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Mol. Formula:
C27H29ClN4O3
M.W.:
493.01
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
123.45
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3289042 Name:
N-((trans)-4-Aminocyclohexyl)-3-((4-carbamimidoylb
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Mol. Formula:
C28H32N6O3
M.W.:
500.60
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
173.32
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3289041 Name:
N-((trans)-4-Aminocyclohexyl)-3-(4-carbamimidoylph
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Mol. Formula:
C27H29N5O4
M.W.:
487.56
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
166.54
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3143980 Name:
4-(2-Benzoylamino-3-methyl-pentanoylamino)-4-({[4-
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Cas Number:
59068-47-2
Mol. Formula:
C32H43N9O9
M.W.:
697.75
Type:
Small molecule
AlogP:
0.38
Polar Surface Area:
290.34
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA1213113 Name:
EP40112
Mol. Formula:
C315H490N53Na9O142S8
M.W.:
7755.06
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1213112 Name:
EP40111
Mol. Formula:
C282H424N53Na9O126S8
M.W.:
7036.18
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1213080 Name:
EP40114
Mol. Formula:
C266H392N53Na9O118S8
M.W.:
6683.76
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA86026 Name:
7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1,6-
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Mol. Formula:
C25H25N5O4S
M.W.:
491.57
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
140.64
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA85938 Name:
Thieno[3,2-b]pyridine-2-sulfonic acid [1-(1,6-diam
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Mol. Formula:
C21H20N6O3S2
M.W.:
468.56
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
144.30
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA85096 Name:
7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-hy
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Mol. Formula:
C25H23N3O5S
M.W.:
477.54
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
108.83
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA315372 Name:
7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-ch
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Mol. Formula:
C25H22ClN3O4S
M.W.:
495.99
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
88.60
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA314909 Name:
7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am
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Mol. Formula:
C26H26N4O5S
M.W.:
506.58
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
123.85
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA32044 Name:
[(S)-4-Guanidino-1-({[4-guanidino-1-(4-nitro-pheny
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Mol. Formula:
C28H39N11O7
M.W.:
641.69
Type:
Small molecule
AlogP:
-0.25
Polar Surface Area:
295.07
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
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