ALA557770Name:
N-(5-(4,4-dihydroxy-3-oxobutanoyl)thiophen-2-yl)benzamideMol. Formula:
C15H11NO5SM.W.:
317.32Type:
Small moleculeAlogP:
2.23Polar Surface Area:
100.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA539211Name:
methyl 2-benzyl-5,6-dihydroxypyrimidine-4-carboxylateMol. Formula:
C13H12N2O4M.W.:
260.25Type:
Small moleculeAlogP:
1.27Polar Surface Area:
92.54HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
2,4,6-cycloheptatrien-1-one, 2,3-dihydroxy-5-(1-methylethyl)-Name:
(2E,4Z,6E)-2,7-dihydroxy-4-isopropylcyclohepta-2,4,6-trienoneMol. Formula:
C10H12O3M.W.:
180.20Type:
Small moleculeAlogP:
1.58Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS
ALA572124Name:
2-(3'-Bromo-4'-methoxybenzyl)-5, 6-dihydroxypyrimidine-4-carboxylic acidMol. Formula:
C13H11BrN2O5M.W.:
355.14Type:
Small moleculeAlogP:
1.95Polar Surface Area:
112.77HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA551212Name:
2-(3',4'-Dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acidMol. Formula:
C12H8Cl2N2O4M.W.:
315.11Type:
Small moleculeAlogP:
2.48Polar Surface Area:
103.54HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
Small moleculeAlogP:
3.81Polar Surface Area:
103.54HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA561881
Name:
5,6-Dihydroxy-2-phenethylpyrimidine-4-carboxylic acidMol. Formula:
C13H12N2O4M.W.:
260.25Type:
Small moleculeAlogP:
1.37Polar Surface Area:
103.54HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA559337
Name:
(6E,8E)-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylic acidMol. Formula:
C12H8O6M.W.:
248.19Type:
Small moleculeAlogP:
1.01Polar Surface Area:
115.06HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS
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