Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
3.86Polar Surface Area:
41.81HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA5268674Name:
3-(4-isopropylphenyl)-[1,2,4]triazino[2,3-c][1,2,3]benzotriazin-2-oneMol. Formula:
C18H15N5OM.W.:
317.35Type:
---AlogP:
2.82Polar Surface Area:
73.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA5268247Name:
6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxamideMol. Formula:
C15H11ClN2O2M.W.:
286.72Type:
---AlogP:
3.56Polar Surface Area:
69.12HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
3.35Polar Surface Area:
57.78HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
---AlogP:
2.66Polar Surface Area:
77.49HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
3.79Polar Surface Area:
81.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
2.70Polar Surface Area:
52.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
---AlogP:
3.05Polar Surface Area:
72.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
---AlogP:
3.70Polar Surface Area:
41.81HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5288318
Name:
6-Bromo-8-(1-cyclohexyl-1H-benzo[d]imidazole-6-yl)imidazo[1,2-a]pyrazineMol. Formula:
C19H18BrN5M.W.:
396.29Type:
---AlogP:
5.01Polar Surface Area:
48.01HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5266329
Name:
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamideMol. Formula:
C17H17FN2O4M.W.:
332.33Type:
---AlogP:
3.76Polar Surface Area:
81.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5206412
Name:
5-((5-chlorobenzofuran-2-yl)methyl)-6-methylpyridazine-3(2H)-thioneMol. Formula:
C14H11ClN2OSM.W.:
290.77Type:
---AlogP:
4.44Polar Surface Area:
41.82HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
4.75Polar Surface Area:
147.21HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5202374
Name:
1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)hexan-1-oneMol. Formula:
C13H19NO5M.W.:
269.30Type:
---AlogP:
2.27Polar Surface Area:
88.88HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
4.75Polar Surface Area:
159.24HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
4.21Polar Surface Area:
71.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5195848
Name:
5-((7-bromo-5-chlorobenzofuran-2-yl)methyl)-6-methylpyridazin-3(2H)-oneMol. Formula:
C14H10BrClN2O2M.W.:
353.60Type:
---AlogP:
3.83Polar Surface Area:
58.89HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
5.07Polar Surface Area:
130.14HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
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