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ALA4098214 Name:
3-(4-(6-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)
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Mol. Formula:
C29H28N4NaO4+
M.W.:
519.56
Type:
Small molecule
AlogP:
6.23
Polar Surface Area:
114.13
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4078272 Name:
(S)-8-(3-chloro-4-fluorobenzyl)-2,3-dicyclopropyl-
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Mol. Formula:
C23H21ClFN3O4
M.W.:
457.89
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
82.85
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4067020 Name:
8'-(3-chloro-4-fluorobenzyl)-2'-(2-(2,5-dioxopyrro
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Mol. Formula:
C28H26ClFN4O6
M.W.:
568.99
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
120.23
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3542226 Name:
1-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetr
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Mol. Formula:
C34H34FN6O10+
M.W.:
705.68
Type:
Small molecule
AlogP:
-0.37
Polar Surface Area:
199.39
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3542190 Name:
9-fluoro-7-(4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dio
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Mol. Formula:
C23H17FN6O3
M.W.:
444.43
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
114.73
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3527046 Name:
(R)-2-(4-amino-1H-imidazol-1-yl)-2-(4-fluorophenyl
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Mol. Formula:
C16H19FN4O
M.W.:
302.35
Type:
Small molecule
AlogP:
1.99
Polar Surface Area:
64.15
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA3526992 Name:
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-[14C-phenyl labelle
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Mol. Formula:
C27H32ClNO10
M.W.:
577.96
Type:
Small molecule
AlogP:
1.36
Polar Surface Area:
108.61
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2431071 Name:
(4S,7S,10R,11S,12S)-12-[(1R)-1-hydroxyethyl]-10-me
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Mol. Formula:
C25H29N3O7S
M.W.:
515.59
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
134.27
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2337981 Name:
N-((1-(2-(3-tert-butylureido)ethyl)-4-(hydroxymeth
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Cas Number:
1416984-93-4
Mol. Formula:
C21H32Cl2N4O3
M.W.:
459.42
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
93.70
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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