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ALA4846043 Name:
NA
Mol. Formula:
C21H18BrNO6
M.W.:
460.28
Type:
Unknown
AlogP:
3.26
Polar Surface Area:
91.26
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3392450 Name:
SID26740873
Mol. Formula:
C16H15NO7S
M.W.:
365.36
Type:
Small molecule
AlogP:
1.06
Polar Surface Area:
141.00
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3392417 Name:
SID26740872
Mol. Formula:
C16H15NO7S
M.W.:
365.36
Type:
Small molecule
AlogP:
1.06
Polar Surface Area:
141.00
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3392076 Name:
SID7973290
Mol. Formula:
C12H17NO4
M.W.:
239.27
Type:
Small molecule
AlogP:
0.58
Polar Surface Area:
86.46
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3391711 Name:
SID860491
Mol. Formula:
C13H17N3OS
M.W.:
263.37
Type:
Small molecule
AlogP:
2.31
Polar Surface Area:
63.97
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3322357 Name:
2-(Cyclohexylcarbonyl)-10-(3-{[4-(phenylsulfonyl)furazan-3-yl]oxy}propoxy)-Show More⌵
Mol. Formula:
C30H34N4O7S
M.W.:
594.69
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
132.14
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3322355 Name:
4-({[2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-aShow More⌵
Mol. Formula:
C23H25N5O4
M.W.:
435.48
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
112.56
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3322294 Name:
4-({[2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-aShow More⌵
Mol. Formula:
C23H27N5O5
M.W.:
453.50
Type:
Small molecule
AlogP:
1.60
Polar Surface Area:
131.86
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3214450 Name:
SID14738068
Mol. Formula:
C24H31N3O4
M.W.:
425.53
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
87.74
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3214391 Name:
SID24841353
Mol. Formula:
C19H15ClN4O3S
M.W.:
414.87
Type:
Small molecule
AlogP:
3.30
Polar Surface Area:
100.52
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3214368 Name:
SID49827163
Mol. Formula:
C14H13N5O3
M.W.:
299.29
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
113.28
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3214348 Name:
SID49646187
Mol. Formula:
C19H16N2O2
M.W.:
304.35
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
64.85
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3214211 Name:
SID26661670
Mol. Formula:
C10H13N7O
M.W.:
247.26
Type:
Small molecule
AlogP:
-0.53
Polar Surface Area:
89.99
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3214192 Name:
SID49679631
Mol. Formula:
C25H22N4O5
M.W.:
458.47
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
140.04
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3214091 Name:
SID26665748
Mol. Formula:
C18H21ClN4O3
M.W.:
376.84
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
87.07
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3214073 Name:
SID26666131
Mol. Formula:
C14H14ClN3O
M.W.:
275.74
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
46.39
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3214041 Name:
SID17414095
Mol. Formula:
C21H29N3O2S
M.W.:
387.55
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
57.09
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3213964 Name:
SID24779124
Mol. Formula:
C17H13FN4O4
M.W.:
356.31
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
113.26
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3213922 Name:
SID57261546
Mol. Formula:
C21H25N5O
M.W.:
363.47
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
42.39
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3213913 Name:
SID17415953
Mol. Formula:
C17H16BrClN2O
M.W.:
379.69
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
24.83
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
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