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PUBCHEM-ZINC05161165

 MMsINC code: MMs03216610
Type: Neutral
Formula: C18H19NO7
SMILES:   O(C)C1=CC(=O)c2n(C)c(\C=C\COC(=O)C)c(c2C1=O)COC(=O)C
InChI:   InChI=1/C18H19NO7/c1-10(20)25-7-5-6-13-12(9-26-11(2)21)16-17(19(13)3)14(22)8-15(24-4)18(16)23/h5-6,8H,7,9H2,1-4H3/b6-5+

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Potential Energy
Epot(MMFF94)=63.7365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.35 g/mol  logS: -2.66284  SlogP: 2.1994  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.077824  Sterimol/B1: 2.35853  Sterimol/B2: 3.9164  Sterimol/B3: 5.26676
  Sterimol/B4: 8.89532  Sterimol/L: 18.5776 
 
 Surface and Volume Properties
  Accessible surface: 646.623  Positive charged surface: 418.062  Negative charged surface: 228.561  Volume: 328.125
  Hydrophobic surface: 444.67  Hydrophilic surface: 201.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.