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IBS-ZINC00518044

 MMsINC code: MMs01743936
Type: Neutral
Formula: C13H13NO5
SMILES:   O(C)C=1c2c(NC(=O)C=1C=O)c(OC)c(OC)cc2
InChI:   InChI=1/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=86.0727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.249 g/mol  logS: -2.4445  SlogP: 1.2123  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0338458  Sterimol/B1: 2.50705  Sterimol/B2: 2.60128  Sterimol/B3: 3.15118
  Sterimol/B4: 6.78833  Sterimol/L: 13.1463 
 
 Surface and Volume Properties
  Accessible surface: 456.082  Positive charged surface: 351.907  Negative charged surface: 104.175  Volume: 236.375
  Hydrophobic surface: 321.685  Hydrophilic surface: 134.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.