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ACROSORGANICS-ZINC01683676

 MMsINC code: MMs00010866
Type: Neutral
Formula: C9H15NO5
SMILES:   O(C(=O)C(NC(=O)C)C(OCC)=O)CC
InChI:   InChI=1/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=54.0868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.221 g/mol  logS: -1.24123  SlogP: -0.3827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986359  Sterimol/B1: 2.3802  Sterimol/B2: 3.11405  Sterimol/B3: 3.36361
  Sterimol/B4: 8.75678  Sterimol/L: 11.3665 
 
 Surface and Volume Properties
  Accessible surface: 454.088  Positive charged surface: 320.31  Negative charged surface: 133.778  Volume: 203.75
  Hydrophobic surface: 311.105  Hydrophilic surface: 142.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.