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ALA2145330 Name:
SID134964696
Mol. Formula:
C23H22N2O2
M.W.:
358.44
Type:
Small molecule
AlogP:
5.06
Polar Surface Area:
34.06
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2145214 Name:
SID134964699
Mol. Formula:
C20H18N2O2
M.W.:
318.38
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
37.97
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2145182 Name:
SID134964689
Mol. Formula:
C19H17N3S
M.W.:
319.43
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
28.49
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2144869 Name:
SID134964730
Mol. Formula:
C20H15N3OS2
M.W.:
377.49
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
54.88
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2144166 Name:
SID134964715
Mol. Formula:
C22H20N2
M.W.:
312.42
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
15.60
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2143943 Name:
SID134964695
Mol. Formula:
C24H24N2O3
M.W.:
388.47
Type:
Small molecule
AlogP:
5.07
Polar Surface Area:
43.29
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA2143503 Name:
SID134964732
Mol. Formula:
C20H19N3OS
M.W.:
349.46
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
37.72
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2143285 Name:
SID134964735
Mol. Formula:
C20H19N3S
M.W.:
333.46
Type:
Small molecule
AlogP:
5.12
Polar Surface Area:
28.49
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2143049 Name:
SID134964731
Mol. Formula:
C24H18N4O
M.W.:
378.44
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
52.31
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2143048 Name:
SID134964707
Mol. Formula:
C21H17ClN2
M.W.:
332.83
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
15.60
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2142668 Name:
SID134964726
Mol. Formula:
C24H17N3OS2
M.W.:
427.55
Type:
Small molecule
AlogP:
6.02
Polar Surface Area:
54.88
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2142540 Name:
SID134964728
Mol. Formula:
C23H23N3
M.W.:
341.46
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
18.84
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2142522 Name:
SID134964691
Mol. Formula:
C22H20N2O
M.W.:
328.42
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
24.83
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2142443 Name:
SID134964710
Mol. Formula:
C17H14FN3S2
M.W.:
343.45
Type:
Small molecule
AlogP:
5.01
Polar Surface Area:
28.49
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2141978 Name:
SID134964712
Mol. Formula:
C18H17N3S2
M.W.:
339.49
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
28.49
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2141782 Name:
SID134964725
Mol. Formula:
C23H15ClN4
M.W.:
382.85
Type:
Small molecule
AlogP:
5.78
Polar Surface Area:
43.08
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2140955 Name:
SID134964692
Mol. Formula:
C21H17ClN2
M.W.:
332.83
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
15.60
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2140403 Name:
SID134964720
Mol. Formula:
C22H20N2O
M.W.:
328.42
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
24.83
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2139878 Name:
SID134964713
Mol. Formula:
C18H17N3S2
M.W.:
339.49
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
28.49
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2139672 Name:
SID134964717
Mol. Formula:
C21H17N3O2S2
M.W.:
407.52
Type:
Small molecule
AlogP:
4.56
Polar Surface Area:
55.32
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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