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ALA1604981 Name:
SID7972533
Mol. Formula:
C22H22F3N3O2
M.W.:
417.43
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
43.86
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1604912 Name:
SID852503
Mol. Formula:
C25H28N4O3S
M.W.:
464.59
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
80.37
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1604866 Name:
SID858589
Mol. Formula:
C20H28O4P2
M.W.:
394.39
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1604841 Name:
SID57655045
Mol. Formula:
C31H28ClN3O4
M.W.:
542.04
Type:
Small molecule
AlogP:
6.65
Polar Surface Area:
79.90
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA1604796 Name:
SID4255756
Mol. Formula:
C13H19NO4
M.W.:
253.30
Type:
Small molecule
AlogP:
1.98
Polar Surface Area:
70.78
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1604757 Name:
SID846673
Cas Number:
3528-49-2
Mol. Formula:
C11H13N3
M.W.:
187.25
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
43.84
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA1604755 Name:
SID4251722
Mol. Formula:
C21H27FN2O2
M.W.:
358.46
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
40.62
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1604728 Name:
SID851678
Mol. Formula:
C25H28ClFN6O2S
M.W.:
531.06
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
68.54
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1604646 Name:
SID3717401
Mol. Formula:
C19H16Cl2N2O5
M.W.:
423.25
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
83.56
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1604556 Name:
SID852877
Mol. Formula:
C12H10Cl2N2O3S
M.W.:
333.20
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
65.22
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1604542 Name:
SID843730
Mol. Formula:
C20H22N4O3S
M.W.:
398.49
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
83.04
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1604529 Name:
SID4263985
Cas Number:
349579-54-0
Mol. Formula:
C17H17NO4
M.W.:
299.33
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
64.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1604421 Name:
SID17385258
Mol. Formula:
C32H34FN3O4
M.W.:
543.64
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
71.85
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1604404 Name:
SID7972650
Mol. Formula:
C14H22N2O2S
M.W.:
282.41
Type:
Small molecule
AlogP:
1.78
Polar Surface Area:
40.62
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
27.69
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1604342 Name:
SID3715438
Mol. Formula:
C11H9NO5S
M.W.:
267.26
Type:
Small molecule
AlogP:
0.15
Polar Surface Area:
80.75
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1604319 Name:
SID4263264
Mol. Formula:
C17H20N2O4S
M.W.:
348.42
Type:
Small molecule
AlogP:
2.06
Polar Surface Area:
79.62
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA1604288 Name:
SID4254860
Mol. Formula:
C21H27N5O
M.W.:
365.48
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
61.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA1604222 Name:
SID3711399
Mol. Formula:
C16H19N3O4
M.W.:
317.35
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
93.46
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA1604212 Name:
SID4256074
Mol. Formula:
C15H19NO4
M.W.:
277.32
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
60.69
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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