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ALA3637830 Name:
Mol. Formula:
C19H23N3O2S
M.W.:
357.48
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
45.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3637829 Name:
Mol. Formula:
C18H20N2O3
M.W.:
312.37
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3637828 Name:
Mol. Formula:
C20H19FN4O
M.W.:
350.40
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
59.93
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3637827 Name:
Mol. Formula:
C19H16F3N3O2
M.W.:
375.35
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
63.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3637826 Name:
Mol. Formula:
C14H15NO2
M.W.:
229.28
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.88
DETAILS
CLOSE
ALA3637825 Name:
Mol. Formula:
C15H8ClF3N4OS
M.W.:
384.77
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
70.19
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3637824 Name:
Mol. Formula:
C25H24N6O2
M.W.:
440.51
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
104.03
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3637823 Name:
Mol. Formula:
C21H22ClN3OS
M.W.:
399.95
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3637822 Name:
Mol. Formula:
C16H22N4O3S2
M.W.:
382.51
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
101.91
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3637821 Name:
Mol. Formula:
C21H21FN4OS
M.W.:
396.49
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
58.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3637820 Name:
Mol. Formula:
C11H9NO4
M.W.:
219.20
Type:
Small molecule
AlogP:
1.21
Polar Surface Area:
80.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3637819 Name:
Mol. Formula:
C17H23N5O2
M.W.:
329.40
Type:
Small molecule
AlogP:
1.70
Polar Surface Area:
81.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA3637818 Name:
Mol. Formula:
C19H15F4N3O4
M.W.:
425.34
Type:
Small molecule
AlogP:
2.10
Polar Surface Area:
115.31
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3637817 Name:
Mol. Formula:
C23H28FN5O4S
M.W.:
489.57
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
111.31
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3637816 Name:
Mol. Formula:
C16H12FN3O3S
M.W.:
345.36
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
74.20
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3637815 Name:
Mol. Formula:
C12H10N4O2S2
M.W.:
306.37
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
80.91
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3637814 Name:
Mol. Formula:
C12H5F3N6O2S
M.W.:
354.27
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
95.14
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3637813 Name:
Mol. Formula:
C22H25N3OS
M.W.:
379.53
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
41.30
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3637812 Name:
Mol. Formula:
C25H26FN7O2
M.W.:
475.53
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
101.08
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3637811 Name:
Mol. Formula:
C12H13N3O
M.W.:
215.26
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
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