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ALA2310951 Name:
TDR76588
Mol. Formula:
C24H27N2O3+
M.W.:
391.49
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
44.34
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2093835 Name:
TDR82732
Mol. Formula:
C17H13ClN2O4S
M.W.:
376.82
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
69.68
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2093834 Name:
TDR82729
Mol. Formula:
C15H9Cl3N2O2S
M.W.:
387.68
Type:
Small molecule
AlogP:
5.52
Polar Surface Area:
51.22
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2093833 Name:
TDR82719
Mol. Formula:
C21H22N6O3
M.W.:
406.45
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
93.66
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2093832 Name:
TDR82718
Mol. Formula:
C21H24N6O3
M.W.:
408.46
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
93.66
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2093831 Name:
TDR82697
Mol. Formula:
C21H20ClFN6O2
M.W.:
442.88
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
92.27
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2093830 Name:
TDR82677
Mol. Formula:
C21H25N5O2
M.W.:
379.46
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
81.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA2093829 Name:
TDR82543
Mol. Formula:
C21H19F3N2O2
M.W.:
388.39
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
49.41
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2093828 Name:
TDR82507
Mol. Formula:
C22H27N3O2S2
M.W.:
429.61
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
45.67
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2093827 Name:
TDR82455
Mol. Formula:
C19H16N2O3S3
M.W.:
416.55
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
76.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2093826 Name:
TDR82433
Mol. Formula:
C15H13N3O2S2
M.W.:
331.42
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
68.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA2093825 Name:
TDR82396
Mol. Formula:
C14H10ClN3O2S2
M.W.:
351.84
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
68.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2093824 Name:
TDR82388
Mol. Formula:
C26H26N4O3S
M.W.:
474.59
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
75.51
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2093823 Name:
TDR82349
Mol. Formula:
C22H19N3OS2
M.W.:
405.55
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
46.09
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2093822 Name:
TDR82348
Mol. Formula:
C20H13F2N3OS
M.W.:
381.41
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2093821 Name:
TDR82346
Mol. Formula:
C21H15Cl2N3O2S
M.W.:
444.34
Type:
Small molecule
AlogP:
5.61
Polar Surface Area:
55.32
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2093820 Name:
TDR82342
Mol. Formula:
C17H18BrN3OS2
M.W.:
424.39
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
36.44
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2093819 Name:
TDR82341
Mol. Formula:
C21H23N3OS
M.W.:
365.50
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
36.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA2093818 Name:
TDR82320
Mol. Formula:
C15H12ClN3O3S2
M.W.:
381.87
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
81.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2093817 Name:
TDR82309
Mol. Formula:
C20H14ClFN4O2
M.W.:
396.81
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
79.78
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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