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PUBCHEM-ZINC06520579

 MMsINC code: MMs03779028
Type: Neutral
Formula: C15H18N2O5
SMILES:   O=C1NC(=O)N(COCCO)C(C(O)c2ccccc2)=C1C
InChI:   InChI=1/C15H18N2O5/c1-10-12(13(19)11-5-3-2-4-6-11)17(9-22-8-7-18)15(21)16-14(10)20/h2-6,13,18-19H,7-9H2,1H3,(H,16,20,21)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=63.3912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.318 g/mol  logS: -1.83377  SlogP: 0.6077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293269  Sterimol/B1: 2.56378  Sterimol/B2: 3.22642  Sterimol/B3: 5.99685
  Sterimol/B4: 8.20779  Sterimol/L: 12.6702 
 
 Surface and Volume Properties
  Accessible surface: 506.624  Positive charged surface: 325.22  Negative charged surface: 181.404  Volume: 278.875
  Hydrophobic surface: 317.151  Hydrophilic surface: 189.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.