ALA4105555Name:
6,7-Bis((3-fluoro-4-methoxybenzyl)oxy)-2,2-dimethylchroman-4-olMol. Formula:
C27H28F2O6M.W.:
486.51Type:
Small moleculeAlogP:
5.73Polar Surface Area:
66.38HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4104674Name:
2,2-Dimethyl-7-((4-nitrobenzyl)oxy)-2H-chromen-6-olMol. Formula:
C18H17NO5M.W.:
327.34Type:
Small moleculeAlogP:
4.06Polar Surface Area:
81.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4103594Name:
2,2-Diethyl-6,7-bis((4-nitrobenzyl)oxy)-2H-chromeneMol. Formula:
C27H26N2O7M.W.:
490.51Type:
Small moleculeAlogP:
6.63Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.23DETAILS
ALA4102184Name:
6,7-Bis((3-fluoro-4-nitrobenzyl)oxy)-2,2-dimethylchroman-4-olMol. Formula:
C25H22F2N2O8M.W.:
516.45Type:
Small moleculeAlogP:
5.53Polar Surface Area:
134.20HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
6.03Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA4095839
Name:
6,7-Bis((4-nitrobenzyl)oxy)spiro[chromene-2,1'-cyclopentane]Mol. Formula:
C27H24N2O7M.W.:
488.50Type:
Small moleculeAlogP:
6.38Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4094441
Name:
2,2-Dimethyl-6,7-bis((4-(trifluoromethyl)benzyl)oxy)chroman-4-oneMol. Formula:
C27H22F6O4M.W.:
524.46Type:
Small moleculeAlogP:
7.63Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4091965
Name:
6,7-Bis((3-fluoro-4-methoxybenzyl)oxy)-2,2-dimethylchroman-4-oneMol. Formula:
C27H26F2O6M.W.:
484.50Type:
Small moleculeAlogP:
5.88Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4091654
Name:
2,2-Dimethyl-6,7-bis((3-nitrobenzyl)oxy)-2H-chromeneMol. Formula:
C25H22N2O7M.W.:
462.46Type:
Small moleculeAlogP:
5.85Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4089239
Name:
6,7-Bis((3,4-difluorobenzyl)oxy)-2,2-dimethyl-2H-chromeneMol. Formula:
C25H20F4O3M.W.:
444.42Type:
Small moleculeAlogP:
6.59Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4088299
Name:
2,2-Dimethyl-2H-chromene-6,7-diyl Bis(4-nitrobenzoate)Mol. Formula:
C25H18N2O9M.W.:
490.42Type:
Small moleculeAlogP:
5.13Polar Surface Area:
148.11HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA4087677
Name:
6,7-Bis((3,4-difluorobenzyl)oxy)-2,2-dimethylchroman-4-olMol. Formula:
C25H22F4O4M.W.:
462.44Type:
Small moleculeAlogP:
6.00Polar Surface Area:
47.92HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4086700
Name:
6,7-Bis((3,4-difluorobenzyl)oxy)-2,2-dimethylchroman-4-oneMol. Formula:
C25H20F4O4M.W.:
460.42Type:
Small moleculeAlogP:
6.14Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4085663
Name:
6,7-Bis((4-nitrobenzyl)oxy)spiro[chromene-2,1'-cyclohexane]Mol. Formula:
C28H26N2O7M.W.:
502.52Type:
Small moleculeAlogP:
6.77Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4084211
Name:
2,2-Dimethyl-6,7-bis((4-(trifluoromethyl)benzyl)oxy)chroman-4-olMol. Formula:
C27H24F6O4M.W.:
526.47Type:
Small moleculeAlogP:
7.48Polar Surface Area:
47.92HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4080449
Name:
7-Methoxy-2,2-dimethyl-6-((4-nitrobenzyl)oxy)-2H-chromeneMol. Formula:
C19H19NO5M.W.:
341.36Type:
Small moleculeAlogP:
4.37Polar Surface Area:
70.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4077809
Name:
6,7-Bis((4-nitrobenzyl)oxy)spiro[chromene-2,1'-cycloheptane]Mol. Formula:
C29H28N2O7M.W.:
516.55Type:
Small moleculeAlogP:
7.16Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
123.20HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4073873
Name:
2,2-Dimethyl-6,7-bis((4-nitrobenzyl)oxy)chroman-4-oneMol. Formula:
C25H22N2O8M.W.:
478.46Type:
Small moleculeAlogP:
5.40Polar Surface Area:
131.04HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4070773
Name:
2,2-Dimethyl-6,7-bis((2-nitrobenzyl)oxy)-2H-chromeneMol. Formula:
C25H22N2O7M.W.:
462.46Type:
Small moleculeAlogP:
5.85Polar Surface Area:
113.97HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS
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