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ALA4286047 Name:
(S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl
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Mol. Formula:
C17H21N3O5
M.W.:
347.37
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
121.26
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3233400 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-[(1R)-1-chloro-2-phe
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Mol. Formula:
C15H17ClO5
M.W.:
312.75
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3233399 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-[(1S)-1-chloro-2-phe
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Mol. Formula:
C15H17ClO5
M.W.:
312.75
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3233398 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-[(1R)-1-hydroxy-2-ph
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Mol. Formula:
C15H18O6
M.W.:
294.30
Type:
Small molecule
AlogP:
-0.54
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3233016 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-[(1S)-1-hydroxy-2-ph
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Mol. Formula:
C15H18O6
M.W.:
294.30
Type:
Small molecule
AlogP:
-0.54
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3233397 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-(2-hydroxy)ethylcycl
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Mol. Formula:
C9H14O6
M.W.:
218.21
Type:
Small molecule
AlogP:
-1.76
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3233396 Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-hydroxymethylcyclohe
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Mol. Formula:
C8H12O6
M.W.:
204.18
Type:
Small molecule
AlogP:
-2.15
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA567564 Name:
Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(5-methylbenzo
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Mol. Formula:
C17H17NaO6S
M.W.:
372.37
Type:
Small molecule
AlogP:
1.55
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA567563 Name:
Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(benzo[b]thiop
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Mol. Formula:
C16H15NaO6S
M.W.:
358.35
Type:
Small molecule
AlogP:
1.24
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA576247 Name:
Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-[(benzo[b]tiop
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Mol. Formula:
C16H15NaO6S
M.W.:
358.35
Type:
Small molecule
AlogP:
1.24
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA567136 Name:
Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)metho
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Mol. Formula:
C12H13NaO6S
M.W.:
308.29
Type:
Small molecule
AlogP:
0.09
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA202311 Name:
N-tetrazol-5-yl-9-oxo-9H-xanthene-2-sulfonamide
Mol. Formula:
C14H9N5O4S
M.W.:
343.32
Type:
Small molecule
AlogP:
0.68
Polar Surface Area:
134.07
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
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