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ALA3214000 Name:
SID49647404
Mol. Formula:
C15H17N9O2
M.W.:
355.36
Type:
Small molecule
AlogP:
0.90
Polar Surface Area:
150.00
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3212860 Name:
SID47196136
Mol. Formula:
C15H18N2O
M.W.:
242.32
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
37.38
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3212437 Name:
SID22415098
Mol. Formula:
C21H23N3O5
M.W.:
397.43
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
100.46
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3212186 Name:
SID49680314
Mol. Formula:
C16H12ClN5O2
M.W.:
341.76
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
93.31
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3211745 Name:
SID47202884
Mol. Formula:
C18H19FN2O2
M.W.:
314.36
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
50.69
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3211486 Name:
SID47204069
Mol. Formula:
C22H27N3O4
M.W.:
397.48
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
63.60
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3211332 Name:
SID47197960
Mol. Formula:
C14H15BrFNO
M.W.:
312.18
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
29.10
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA3210058 Name:
SID26727531
Mol. Formula:
C12H12BrN3O
M.W.:
294.15
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
50.27
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3209572 Name:
SID49672177
Mol. Formula:
C14H16N2O3S
M.W.:
292.36
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
71.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3208883 Name:
SID49824630
Mol. Formula:
C21H23N3O4
M.W.:
381.43
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
89.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3208864 Name:
SID26667147
Mol. Formula:
C19H20ClN3O2
M.W.:
357.84
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
70.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3208426 Name:
SID26658744
Mol. Formula:
C19H23N5O3S
M.W.:
401.49
Type:
Small molecule
AlogP:
0.85
Polar Surface Area:
94.97
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3208414 Name:
SID24784801
Mol. Formula:
C19H22N4O5S
M.W.:
418.48
Type:
Small molecule
AlogP:
1.42
Polar Surface Area:
117.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3207810 Name:
SID49643072
Mol. Formula:
C14H16N4O3
M.W.:
288.31
Type:
Small molecule
AlogP:
1.95
Polar Surface Area:
88.86
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3207745 Name:
SID24804053
Mol. Formula:
C14H17N3O4
M.W.:
291.31
Type:
Small molecule
AlogP:
0.75
Polar Surface Area:
107.86
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3207638 Name:
SID49670805
Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3207479 Name:
SID49820919
Mol. Formula:
C21H28N2O4S2
M.W.:
436.60
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
76.04
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3199749 Name:
SID26660362
Mol. Formula:
C15H25N3O
M.W.:
263.38
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
50.27
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3198913 Name:
SID49726086
Mol. Formula:
C25H30N4O3
M.W.:
434.54
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
77.62
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3197574 Name:
SID24835485
Mol. Formula:
C15H16N2O4
M.W.:
288.30
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
91.91
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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