ALA4532983Name:
N-butyl-4-(hexyloxy)-N-pentyl-1,4-dihydronaphthalene-1-carboximidamideMol. Formula:
C26H42N2OM.W.:
398.64Type:
UnknownAlogP:
7.25Polar Surface Area:
36.32HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS
MLS000544460Name:
3-fluoro-N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)benzohydrazideMol. Formula:
C17H12FN3O2SM.W.:
341.37Type:
UnknownAlogP:
3.73Polar Surface Area:
67.49HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4476815Name:
N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)isonicotinohydrazideMol. Formula:
C16H12N4O2SM.W.:
324.37Type:
UnknownAlogP:
2.98Polar Surface Area:
80.38HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
UnknownAlogP:
5.21Polar Surface Area:
182.83HBA:
12HBD:
5#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA4463681Name:
3-bromo-N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)benzohydrazideMol. Formula:
C17H12BrN3O2SM.W.:
402.27Type:
UnknownAlogP:
4.35Polar Surface Area:
67.49HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS- ALA4459891
Name:
(E)-N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)benzohydrazideMol. Formula:
C17H13N3O2SM.W.:
323.38Type:
UnknownAlogP:
3.59Polar Surface Area:
67.49HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
10.38Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4446792
Name:
N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)-2-(o-tolyloxy)acetohydrazideMol. Formula:
C19H17N3O3SM.W.:
367.43Type:
UnknownAlogP:
3.66Polar Surface Area:
76.72HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4446652
Name:
2-nitro-N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)benzohydrazideMol. Formula:
C17H12N4O4SM.W.:
368.37Type:
UnknownAlogP:
3.50Polar Surface Area:
110.63HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
4.18Polar Surface Area:
106.97HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-0.08Polar Surface Area:
124.49HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
1.73Polar Surface Area:
72.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.46Polar Surface Area:
106.53HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
60.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
67.49HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
112.75HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
47.25HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.80Polar Surface Area:
42.79HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
61.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
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