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ALA5287197 Name:
3'-(4-methylphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,
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Mol. Formula:
C23H20N4S
M.W.:
384.51
Type:
---
AlogP:
5.35
Polar Surface Area:
42.21
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5285464 Name:
Mol. Formula:
C21H28ClNO4
M.W.:
393.91
Type:
---
AlogP:
4.96
Polar Surface Area:
48.95
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5285454 Name:
2-((7-chloroquinolin-4-yl)amino)ethyl ((3R,5aS,6R,
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Mol. Formula:
C30H37ClN2O8
M.W.:
589.09
Type:
---
AlogP:
5.37
Polar Surface Area:
114.44
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5285148 Name:
Mol. Formula:
C28H41NO7
M.W.:
503.64
Type:
---
AlogP:
4.51
Polar Surface Area:
78.85
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5282068 Name:
trimethyl(3-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-tri
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Mol. Formula:
C37H62O8Si
M.W.:
662.98
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5280548 Name:
N-(4-fluorophenyl)-3-((3S,5aS,6R,8aS,9R,12R,12aR)-
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Mol. Formula:
C24H32FNO5
M.W.:
433.52
Type:
---
AlogP:
4.79
Polar Surface Area:
66.02
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5279393 Name:
Mol. Formula:
C22H29NO6
M.W.:
403.48
Type:
---
AlogP:
4.00
Polar Surface Area:
86.25
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5290880 Name:
1-(4-(trifluoromethyl)phenyl)-4-(2-((3S,5aS,6R,8aS
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Mol. Formula:
C28H39F3N2O4
M.W.:
524.62
Type:
---
AlogP:
5.47
Polar Surface Area:
43.40
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5290860 Name:
Mol. Formula:
C21H28ClNO4
M.W.:
393.91
Type:
---
AlogP:
4.96
Polar Surface Area:
48.95
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5289644 Name:
Mol. Formula:
C37H55NO14
M.W.:
737.84
Type:
---
AlogP:
5.20
Polar Surface Area:
168.26
HBA:
14
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5289561 Name:
Arteether
Mol. Formula:
C18H30O4
M.W.:
310.43
Type:
---
AlogP:
3.69
Polar Surface Area:
36.92
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5288630 Name:
Emamectin
Mol. Formula:
C49H77NO13
M.W.:
888.15
Type:
---
AlogP:
5.83
Polar Surface Area:
161.86
HBA:
14
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5288586 Name:
1-(3-((7-chloroquinolin-4-yl)amino)phenyl)-3-(3,4,
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Mol. Formula:
C27H23ClN2O4
M.W.:
474.94
Type:
---
AlogP:
6.55
Polar Surface Area:
69.68
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5287926 Name:
Artemisone
Mol. Formula:
C19H31NO6S
M.W.:
401.53
Type:
---
AlogP:
1.92
Polar Surface Area:
74.30
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4781713 Name:
6-Chloro-2-((4-morpholinobutyl)amino)-N-(2-(pyrrol
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Mol. Formula:
C24H34ClN5O2
M.W.:
460.02
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
69.73
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3733954 Name:
MMV1497179
Mol. Formula:
C18H17ClN2S
M.W.:
328.87
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
28.78
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4548928 Name:
MMV1149524
Mol. Formula:
C22H21ClN2O
M.W.:
364.88
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
34.15
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4548924 Name:
MMV1174051
Mol. Formula:
C20H16FN2O2+
M.W.:
335.36
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
50.05
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4548915 Name:
MMV1468317
Mol. Formula:
C15H13F3N2O2
M.W.:
310.27
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
50.36
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4548911 Name:
DDD01257876
Mol. Formula:
C17H24N2OS
M.W.:
304.46
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
23.55
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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