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ALA4247561 Name:
1-(5,6-dihydroxy-1H-indol-3-yl)-3-(4-(4-fluorobenz
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Mol. Formula:
C23H25FN2O3
M.W.:
396.46
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
76.56
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3622460 Name:
N,N'-(butane-1,4-diyl)bis(5,6-dihydroxy-1H-indole-
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Mol. Formula:
C22H22N4O6
M.W.:
438.44
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
170.70
HBA:
6
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3622459 Name:
3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one
Cas Number:
5203-98-5
Mol. Formula:
C8H8N2O2
M.W.:
164.16
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
58.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
ALA3622458 Name:
3-(2-(4-nitrophenyl)hydrazinyl)-3-oxo-N-phenylprop
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Mol. Formula:
C15H14N4O4
M.W.:
314.30
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
113.37
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3622457 Name:
N,N'-(propane-1,3-diyl)bis(5,6-dihydroxy-1H-indole
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Mol. Formula:
C21H20N4O4
M.W.:
392.42
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
130.24
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3622456 Name:
6,7-dimethoxy-2-morpholinoquinazolin-4-amine
Mol. Formula:
C14H18N4O3
M.W.:
290.32
Type:
Small molecule
AlogP:
1.07
Polar Surface Area:
82.73
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA3622455 Name:
3-(3-(4-chlorobenzylthio)-5-hydroxy-1,2,4-triazin-
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Mol. Formula:
C13H12ClN3O3S
M.W.:
325.78
Type:
Small molecule
AlogP:
2.54
Polar Surface Area:
96.20
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3622454 Name:
3-(3-Hydroxy-benzo[4,5]imidazo[1,2-b][1,2,4]triazi
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Mol. Formula:
C12H10N4O3
M.W.:
258.24
Type:
Small molecule
AlogP:
1.00
Polar Surface Area:
100.61
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3622453 Name:
2,4-dihydroxy-N-(5-methylisoxazol-3-yl)-6-oxo-1,6-
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Mol. Formula:
C9H8N4O5
M.W.:
252.19
Type:
Small molecule
AlogP:
-0.27
Polar Surface Area:
141.34
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3622452 Name:
3-(3-(thiophen-2-yl)-1H-1,2,4-triazol-5-ylcarbamoy
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Mol. Formula:
C12H8N6O3S
M.W.:
316.30
Type:
Small molecule
AlogP:
1.27
Polar Surface Area:
133.75
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3622451 Name:
3-(5-cyano-2,6-dihydroxypyrimidin-4-ylamino)-N-met
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Mol. Formula:
C13H11N5O3
M.W.:
285.26
Type:
Small molecule
AlogP:
0.86
Polar Surface Area:
131.16
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3622450 Name:
2-(2-(benzylthio)-4-hydroxy-6-methylpyrimidin-5-yl
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Mol. Formula:
C14H14N2O3S
M.W.:
290.34
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
83.31
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
Type:
Small molecule
AlogP:
-1.80
Polar Surface Area:
223.80
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
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