ALA3719109Name:
7-{[2-Chloro-5-(trifluoromethyl)benzyl]oxy}-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C23H14ClF3O3SM.W.:
462.88Type:
Small moleculeAlogP:
7.52Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
7.63Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
7.33Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA3718408Name:
7-[(2,6-Dibromobenzyl)oxy]-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C22H14Br2O3SM.W.:
518.23Type:
Small moleculeAlogP:
7.37Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS- ALA3717370
Name:
7-[(2,6-Difluorobenzyl)oxy]-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C22H14F2O3SM.W.:
396.41Type:
Small moleculeAlogP:
6.12Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3715033
Name:
7-[(2,6-Dimethylbenzyl)oxy]-4-(4-formylphenyl)-2-naphthoic acidMol. Formula:
C27H22O4M.W.:
410.47Type:
Small moleculeAlogP:
6.21Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3715445
Name:
4-Phenyl-7-[(2,3,6-trichlorobenzyl)oxy]-2-naphthoic acidMol. Formula:
C24H15Cl3O3M.W.:
457.74Type:
Small moleculeAlogP:
7.74Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA3715957
Name:
7-[(6-Chloro-2-fluoro-3-methylbenzyl)oxy]-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C23H16ClFO3SM.W.:
426.90Type:
Small moleculeAlogP:
6.95Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3719160
Name:
4-(1,3-Benzodioxol-5-yl)-7-[(2,6-dimethylbenzyl)oxy]-2-naphthoic acidMol. Formula:
C27H22O5M.W.:
426.47Type:
Small moleculeAlogP:
6.13Polar Surface Area:
64.99HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3717969
Name:
7-[(2,6-Dimethylbenzyl)oxy]-4-(4-hydroxyphenyl)-2-naphthoic acidMol. Formula:
C26H22O4M.W.:
398.46Type:
Small moleculeAlogP:
6.11Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA3715143
Name:
7-[(2-Bromo-6-chlorobenzyl)oxy]-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C22H14BrClO3SM.W.:
473.78Type:
Small moleculeAlogP:
7.26Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA3719225
Name:
4-(4-Acetylphenyl)-7-[(2,6-dimethylbenzyl)oxy]-2-naphthoic acidMol. Formula:
C28H24O4M.W.:
424.50Type:
Small moleculeAlogP:
6.60Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3716855
Name:
7-{[2-Methyl-5-(trifluoromethyl)benzyl]oxy}-4-(3-thienyl)-2-naphthoic acidMol. Formula:
C24H17F3O3SM.W.:
442.46Type:
Small moleculeAlogP:
7.17Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3719107
Name:
7-[(2,6-Dimethylbenzyl)oxy]-4-[4-(hydroxymethyl)phenyl]-2-naphthoic acidMol. Formula:
C27H24O4M.W.:
412.49Type:
Small moleculeAlogP:
5.89Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
6.63Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3717714
Name:
7-[(2,6-Dimethylbenzyl)oxy]-4-[(2-methoxybenzyl)oxy]-2-naphthoic acidMol. Formula:
C26H22O5M.W.:
414.46Type:
Small moleculeAlogP:
5.70Polar Surface Area:
64.99HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
6.31Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA3716469
Name:
4-[4-(Methylsulfinyl)phenyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthoic acidMol. Formula:
C25H17F3O3SM.W.:
454.47Type:
Small moleculeAlogP:
6.63Polar Surface Area:
60.36HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.68Polar Surface Area:
78.87HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS
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