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ALA3214239 Name:
SID3713263
Mol. Formula:
C8H8N2O2
M.W.:
164.16
Type:
Small molecule
AlogP:
1.09
Polar Surface Area:
61.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3213473 Name:
SID26663262
Mol. Formula:
C12H17N3O3
M.W.:
251.29
Type:
Small molecule
AlogP:
1.49
Polar Surface Area:
85.94
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3212727 Name:
SID4246900
Mol. Formula:
C11H13NO3
M.W.:
207.23
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
51.05
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3212631 Name:
SID17408225
Mol. Formula:
C17H16Cl2N2O
M.W.:
335.23
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
24.83
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3212319 Name:
SID17403185
Mol. Formula:
C19H19N3O4S
M.W.:
385.45
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
80.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3212123 Name:
SID26660898
Mol. Formula:
C16H27NO2
M.W.:
265.40
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
46.17
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3211526 Name:
SID3717983
Mol. Formula:
C13H14F6N2O4
M.W.:
376.25
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
75.27
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3211333 Name:
SID4244472
Mol. Formula:
C20H22N6O
M.W.:
362.44
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
75.41
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3211106 Name:
SID14724270
Mol. Formula:
C24H25NO5
M.W.:
407.47
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
89.10
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3210867 Name:
SID26670952
Mol. Formula:
C14H13N7O3
M.W.:
327.30
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
113.26
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3210399 Name:
SID7972737
Mol. Formula:
C12H15N3O
M.W.:
217.27
Type:
Small molecule
AlogP:
1.87
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3209894 Name:
SID26660624
Mol. Formula:
C13H13N3O3S
M.W.:
291.33
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
83.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3208802 Name:
SID26663342
Mol. Formula:
C19H15N5O
M.W.:
329.36
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
75.93
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3207609 Name:
SID26660610
Mol. Formula:
C24H15N7O
M.W.:
417.43
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
90.85
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3207416 Name:
SID7973747
Mol. Formula:
C8H10N2O3S2
M.W.:
246.31
Type:
Small molecule
AlogP:
1.02
Polar Surface Area:
78.76
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3198807 Name:
SID26658451
Mol. Formula:
C24H23N3O7S
M.W.:
497.53
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
134.60
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3198690 Name:
SID26728116
Mol. Formula:
C15H16F3NO4
M.W.:
331.29
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
68.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3198608 Name:
SID26661633
Mol. Formula:
C19H22N4O2
M.W.:
338.41
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
66.82
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3196219 Name:
SID26658368
Mol. Formula:
C18H16N6O2S
M.W.:
380.43
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
109.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3195226 Name:
SID26658597
Mol. Formula:
C17H17N7O2
M.W.:
351.37
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
111.13
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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