ALA5277926Name:
(R)-1-(4'-fluoro-3,5-diisopropyl-6-propyl-[1,1'-biphenyl]-2-yl)ethan-1-olMol. Formula:
C23H31FOM.W.:
342.50Type:
---AlogP:
6.75Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA3359004Name:
N'-(furan-3-carbonyl)-4-phenylfuran-2-carbohydrazideMol. Formula:
C16H12N2O4M.W.:
296.28Type:
Small moleculeAlogP:
2.61Polar Surface Area:
84.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA3359003Name:
N'-(furan-3-carbonyl)-3,4-diphenylfuran-2-carbohydrazideMol. Formula:
C22H16N2O4M.W.:
372.38Type:
Small moleculeAlogP:
4.28Polar Surface Area:
84.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA3326188Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-pentylphenyl)furan-2-carbohydrazideMol. Formula:
C23H23N3O6M.W.:
437.45Type:
Small moleculeAlogP:
4.37Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA3326187Name:
3-(4-butylphenyl)-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazideMol. Formula:
C22H21N3O6M.W.:
423.43Type:
Small moleculeAlogP:
3.98Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS- ALA3326186
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-isopropylphenyl)furan-2-carbohydrazideMol. Formula:
C21H19N3O6M.W.:
409.40Type:
Small moleculeAlogP:
3.76Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA3325456
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-propylphenyl)furan-2-carbohydrazideMol. Formula:
C21H19N3O6M.W.:
409.40Type:
Small moleculeAlogP:
3.59Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3326185
Name:
3-(4-ethylphenyl)-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazideMol. Formula:
C20H17N3O6M.W.:
395.37Type:
Small moleculeAlogP:
3.20Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3326184
Name:
3-(4-chlorophenyl)-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazideMol. Formula:
C18H12ClN3O6M.W.:
401.76Type:
Small moleculeAlogP:
3.29Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3326183
Name:
3-(4-fluorophenyl)-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazideMol. Formula:
C18H12FN3O6M.W.:
385.31Type:
Small moleculeAlogP:
2.77Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3326182
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-(4-methoxyphenyl)furan-2-carbohydrazideMol. Formula:
C19H15N3O7M.W.:
397.34Type:
Small moleculeAlogP:
2.64Polar Surface Area:
143.94HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3326181
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-p-tolylfuran-2-carbohydrazideMol. Formula:
C19H15N3O6M.W.:
381.34Type:
Small moleculeAlogP:
2.94Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3326180
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-m-tolylfuran-2-carbohydrazideMol. Formula:
C19H15N3O6M.W.:
381.34Type:
Small moleculeAlogP:
2.94Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3326179
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-o-tolylfuran-2-carbohydrazideMol. Formula:
C19H15N3O6M.W.:
381.34Type:
Small moleculeAlogP:
2.94Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3326178
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3-phenylfuran-2-carbohydrazideMol. Formula:
C18H13N3O6M.W.:
367.32Type:
Small moleculeAlogP:
2.64Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3326177
Name:
N'-(6-hydroxybiphenylcarbonyl)-3,4-diphenylfuran-2-carbohydrazideMol. Formula:
C30H22N2O4M.W.:
474.52Type:
Small moleculeAlogP:
6.06Polar Surface Area:
91.57HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA3326176
Name:
N'-(4-hydroxy-3-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazideMol. Formula:
C25H20N2O5M.W.:
428.44Type:
Small moleculeAlogP:
4.40Polar Surface Area:
100.80HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3326175
Name:
N'-(4-hydroxy-3-nitrobenzoyl)-3,4-diphenylfuran-2-carbohydrazideMol. Formula:
C24H17N3O6M.W.:
443.42Type:
Small moleculeAlogP:
4.30Polar Surface Area:
134.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.41Polar Surface Area:
91.57HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3326173
Name:
N'-(3-bromo-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazideMol. Formula:
C24H17BrN2O4M.W.:
477.31Type:
Small moleculeAlogP:
5.16Polar Surface Area:
91.57HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS
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