ALA4529627Name:
2-(2,5-dimethylphenyl)-2-oxoethyl 2-hydroxy-1-naphthoateMol. Formula:
C21H18O4M.W.:
334.37Type:
UnknownAlogP:
4.20Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
UnknownAlogP:
3.37Polar Surface Area:
81.54HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
2.67Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.61Polar Surface Area:
61.36HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS
3-acetyl-1，6-naphthyridin-2(1H)-oneName:
3-acetyl-1,6-naphthyridin-2(1H)-oneMol. Formula:
C10H8N2O2M.W.:
188.19Type:
Small moleculeAlogP:
1.13Polar Surface Area:
62.82HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS- 5-(Acetylamino)-2-hydroxybenzoic acid
Name:
5-(acetylamino)-2-hydroxybenzoic acidMol. Formula:
C9H9NO4M.W.:
195.17Type:
Small moleculeAlogP:
1.05Polar Surface Area:
86.63HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3410755
Name:
2-[(2,4-dihydroxyphenyl)methylene]-hydrazinecarboxamideMol. Formula:
C8H9N3O3M.W.:
195.18Type:
Small moleculeAlogP:
0.10Polar Surface Area:
107.94HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
1.03Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.99Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
123.93HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3410749
Name:
2-(2,5-dimethylphenyl)-2-oxoethyl 3-hydroxy-2-naphthoateMol. Formula:
C21H18O4M.W.:
334.37Type:
Small moleculeAlogP:
4.20Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3410748
Name:
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)ethanoneMol. Formula:
C15H14O5M.W.:
274.27Type:
Small moleculeAlogP:
2.37Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3410747
Name:
2-(4-methoxyphenyl)-2-oxoethyl 2-hydroxy-5-methylbenzoateMol. Formula:
C17H16O5M.W.:
300.31Type:
Small moleculeAlogP:
2.75Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3410746
Name:
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-iodophenoxy)ethanoneMol. Formula:
C16H15IO4M.W.:
398.20Type:
Small moleculeAlogP:
3.53Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3410745
Name:
1-(2,4-dihydroxy-5-methylphenyl)-2-(4-fluorophenoxy)ethanoneMol. Formula:
C15H13FO4M.W.:
276.26Type:
Small moleculeAlogP:
2.81Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA3410744
Name:
1-(2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanoneMol. Formula:
C16H16O4M.W.:
272.30Type:
Small moleculeAlogP:
2.92Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3410743
Name:
2-(2,4-dimethoxyphenyl)-2-oxoethyl 2-hydroxy-5-methoxybenzoateMol. Formula:
C18H18O7M.W.:
346.34Type:
Small moleculeAlogP:
2.46Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3410742
Name:
2-(2,4-dimethoxyphenyl)-2-oxoethyl 2-hydroxy-5-methylbenzoateMol. Formula:
C18H18O6M.W.:
330.34Type:
Small moleculeAlogP:
2.76Polar Surface Area:
82.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3410741
Name:
2-(2-methoxyphenyl)-2-oxoethyl 2-hydroxy-5-methylbenzoateMol. Formula:
C17H16O5M.W.:
300.31Type:
Small moleculeAlogP:
2.75Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
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