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ALA3199406 Name:
SID26671027
Mol. Formula:
C16H16N4O3
M.W.:
312.33
Type:
Small molecule
AlogP:
1.57
Polar Surface Area:
96.48
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1794290 Name:
SID46501284
Mol. Formula:
C11H10N2S2
M.W.:
234.35
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
24.72
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.65
DETAILS
CLOSE
ALA1794278 Name:
SID22414220
Cas Number:
492457-03-1
Mol. Formula:
C15H18N6O
M.W.:
298.35
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
105.54
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1794266 Name:
SID47194247
Mol. Formula:
C12H12ClFN2O
M.W.:
254.69
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
32.67
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA1794259 Name:
SID49724188
Mol. Formula:
C18H20Cl2N2O2
M.W.:
367.28
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
46.34
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1794249 Name:
SID14725982
Mol. Formula:
C13H12N4OS
M.W.:
272.33
Type:
Small molecule
AlogP:
2.25
Polar Surface Area:
87.72
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1794234 Name:
SID24808431
Mol. Formula:
C14H14N4O2
M.W.:
270.29
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
100.86
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA1794229 Name:
SID24800548
Mol. Formula:
C20H25N5O2
M.W.:
367.45
Type:
Small molecule
AlogP:
2.58
Polar Surface Area:
85.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1794196 Name:
SID14725900
Mol. Formula:
C18H18N4O3
M.W.:
338.37
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
114.02
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.46
DETAILS
CLOSE
ALA1794153 Name:
SID49717905
Mol. Formula:
C20H17NO5
M.W.:
351.36
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
76.82
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1794145 Name:
SID17512956
Cas Number:
443652-48-0
Mol. Formula:
C9H18N2O2S2
M.W.:
250.39
Type:
Small molecule
AlogP:
0.85
Polar Surface Area:
58.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.43
DETAILS
CLOSE
ALA1794141 Name:
SID17413473
Mol. Formula:
C23H18F3N3O6
M.W.:
489.41
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
134.71
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1794130 Name:
SID47193416
Cas Number:
63134-21-4
Mol. Formula:
C10H10ClNO
M.W.:
195.65
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.58
DETAILS
CLOSE
ALA1794123 Name:
SID47194243
Mol. Formula:
C11H12N2O
M.W.:
188.23
Type:
Small molecule
AlogP:
1.35
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
ALA1794081 Name:
SID47194359
Mol. Formula:
C15H7NO6
M.W.:
297.22
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
114.58
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1532588 Name:
SID26665226
Mol. Formula:
C13H9N3O2
M.W.:
239.23
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
66.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1201055 Name:
SID11532936
Mol. Formula:
C8H14N2O4Pt
M.W.:
397.29
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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