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ALA1609890 Name:
SID852910
Mol. Formula:
C25H29N7O3
M.W.:
475.55
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
113.41
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1578559 Name:
SID843543
Mol. Formula:
C18H22N6OS2
M.W.:
402.55
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
96.49
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1540610 Name:
SID864606
Mol. Formula:
C13H13N3O3S2
M.W.:
323.40
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
86.35
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1535124 Name:
SID7971702
Mol. Formula:
C22H18ClN3O4S2
M.W.:
487.99
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
82.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1462119 Name:
SID852747
Mol. Formula:
C16H17N5O3S2
M.W.:
391.48
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
130.99
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1455209 Name:
SID845724
Mol. Formula:
C13H13N5O2S2
M.W.:
335.41
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
111.79
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1440883 Name:
SID7974574
Mol. Formula:
C21H16Cl2N2O3S
M.W.:
447.34
Type:
Small molecule
AlogP:
5.49
Polar Surface Area:
83.10
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1437943 Name:
SID851333
Mol. Formula:
C19H15N5OS3
M.W.:
425.56
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
83.08
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1425173 Name:
SID7977783
Mol. Formula:
C28H19N3O4
M.W.:
461.48
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
103.41
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1413198 Name:
SID847375
Mol. Formula:
C20H21FN4O4S2
M.W.:
464.54
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
106.35
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1407201 Name:
SID4247715
Mol. Formula:
C19H15FN4O3S
M.W.:
398.42
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
90.14
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1361464 Name:
SID7970383
Mol. Formula:
C18H12F2N4OS
M.W.:
370.38
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
63.83
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1330121 Name:
SID848884
Mol. Formula:
C19H19N5O4S
M.W.:
413.46
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
116.07
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1322572 Name:
SID849493
Mol. Formula:
C19H18ClN5O2S2
M.W.:
447.97
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
92.83
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1307842 Name:
SID853508
Mol. Formula:
C17H13FN4O2S2
M.W.:
388.45
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
91.81
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
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