Type:
---AlogP:
3.27Polar Surface Area:
84.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA5269379Name:
2-phenyl-N-(pyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamideMol. Formula:
C18H13N5OM.W.:
315.34Type:
---AlogP:
3.04Polar Surface Area:
72.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA5269039Name:
2-(Cyclopropanecarboxamido)-N-(2-cyanopyridin-3-yl)-isonicotinamideMol. Formula:
C16H13N5O2M.W.:
307.31Type:
---AlogP:
1.95Polar Surface Area:
107.77HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS
Type:
---AlogP:
3.42Polar Surface Area:
91.95HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
---AlogP:
2.42Polar Surface Area:
95.07HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
UnknownAlogP:
5.80Polar Surface Area:
54.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA4592453
Name:
5-((5-(3,4-dichlorophenyl)furan-2-yl)methylene)-2-iminothiazolidin-4-oneMol. Formula:
C14H8Cl2N2O2SM.W.:
339.20Type:
UnknownAlogP:
4.39Polar Surface Area:
66.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4589530
Name:
2-(benzylimino)-5-((5-phenylfuran-2-yl)methylene)thiazolidin-4-oneMol. Formula:
C21H16N2O2SM.W.:
360.44Type:
UnknownAlogP:
4.71Polar Surface Area:
54.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4584696
Name:
5-((5-(4-chlorophenylthio)furan-2-yl)methylene)-2-thioxoimidazolidin-4-oneMol. Formula:
C14H9ClN2O2S2M.W.:
336.83Type:
UnknownAlogP:
3.43Polar Surface Area:
54.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
6.11Polar Surface Area:
54.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
5.98Polar Surface Area:
54.60HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4575443
Name:
3-(2-furyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-amineMol. Formula:
C15H15N3O2M.W.:
269.30Type:
UnknownAlogP:
3.29Polar Surface Area:
63.08HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
4.54Polar Surface Area:
91.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
1.57Polar Surface Area:
92.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
4.75Polar Surface Area:
70.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4574217
Name:
3-[(4-methylphenoxy)methyl]-N-phenyl-1H-1,2,4-triazol-5-amineMol. Formula:
C16H16N4OM.W.:
280.33Type:
UnknownAlogP:
3.44Polar Surface Area:
62.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4572532
Name:
3-(5-((2-imino-4-oxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acidMol. Formula:
C15H10N2O4SM.W.:
314.32Type:
UnknownAlogP:
2.78Polar Surface Area:
103.39HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4568389
Name:
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-pentylsulfanyl-purine-2,6-dioneMol. Formula:
C20H26N4O4SM.W.:
418.52Type:
UnknownAlogP:
2.15Polar Surface Area:
102.14HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
3.29Polar Surface Area:
80.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4566633
Name:
5-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-thioxoimidazolidin-4-oneMol. Formula:
C14H9N3O4SM.W.:
315.31Type:
UnknownAlogP:
2.20Polar Surface Area:
97.41HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS
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