ALA4587123Name:
1-(4-chlorobenzyl)-5-(4-methylpiperazine-1-carbonyl)pyridin-2(1H)-oneMol. Formula:
C18H20ClN3O2M.W.:
345.83Type:
UnknownAlogP:
1.94Polar Surface Area:
45.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA4576559Name:
(4-(2-methylbenzyl)piperazin-1-yl)(pyridin-3-yl)methanoneMol. Formula:
C18H21N3OM.W.:
295.39Type:
UnknownAlogP:
2.35Polar Surface Area:
36.44HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.87DETAILS
ALA4555681Name:
7-fluoro-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-oneMol. Formula:
C9H8FNO2M.W.:
181.17Type:
UnknownAlogP:
0.95Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS
ALA4532670Name:
(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(furan-2-yl)methanoneMol. Formula:
C17H18N2O4M.W.:
314.34Type:
UnknownAlogP:
1.97Polar Surface Area:
55.15HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA4454723Name:
Methyl 4-(5-(morpholine-4-carbonyl)furan-2-yl)thiophene-3-carboxylateMol. Formula:
C15H15NO5SM.W.:
321.35Type:
UnknownAlogP:
2.27Polar Surface Area:
68.98HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS-
Type:
UnknownAlogP:
1.59Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS
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