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ALA3989198 Name:
GSK2373693
Mol. Formula:
C18H19Cl2N5O2
M.W.:
408.29
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
64.66
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3989172 Name:
SKF-104493
Mol. Formula:
C18H17N3O
M.W.:
291.35
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
39.94
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3989111 Name:
SB-731254-M
Mol. Formula:
C22H15F5N4O3S
M.W.:
510.44
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
80.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3988876 Name:
SB-735216
Mol. Formula:
C13H12N4
M.W.:
224.27
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3988866 Name:
SKF-105942
Mol. Formula:
C18H17N3O2S
M.W.:
339.42
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
64.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3988849 Name:
SB-229482
Mol. Formula:
C24H30FN7
M.W.:
435.55
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
70.90
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3988848 Name:
GW854278
Mol. Formula:
C20H17BrN4O4S
M.W.:
489.35
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
101.49
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3988771 Name:
SB-736398
Mol. Formula:
C13H12N4
M.W.:
224.27
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3988674 Name:
GSK2373690
Mol. Formula:
C20H22F3N5O2
M.W.:
421.42
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
64.66
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA537316 Name:
GW440148
Mol. Formula:
C29H24N4O2
M.W.:
460.54
Type:
Small molecule
AlogP:
6.58
Polar Surface Area:
76.14
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA537067 Name:
GW440137
Mol. Formula:
C21H15N5
M.W.:
337.39
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
66.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA534762 Name:
GSK2181306
Mol. Formula:
C19H20N6O3S
M.W.:
412.48
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
128.87
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA579510 Name:
GSK1653539
Mol. Formula:
C24H26N6O3S
M.W.:
478.58
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
120.24
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA546641 Name:
SB-684387
Mol. Formula:
C25H24ClN3O2
M.W.:
433.94
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
61.38
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA547471 Name:
GW525701
Mol. Formula:
C22H17N5S
M.W.:
383.48
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
55.63
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA548105 Name:
GSK1581428
Mol. Formula:
C21H26N4OS
M.W.:
382.53
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
83.80
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA580762 Name:
GW440132
Mol. Formula:
C25H23N3O4
M.W.:
429.48
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
92.71
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA582223 Name:
GW494702
Mol. Formula:
C26H20N4O2S
M.W.:
452.54
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
87.14
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA582038 Name:
GW494601
Mol. Formula:
C20H15N3O
M.W.:
313.36
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
58.04
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA545906 Name:
GSK2188764
Mol. Formula:
C17H16Cl2N6O
M.W.:
391.26
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
94.73
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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