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NCID-ZINC01589588

 MMsINC code: MMs02244844
Type: Neutral
Formula: C11H17FN2O5
SMILES:   FC1(C(OCC)=O)C(OCCCC)NC(=O)NC1=O
InChI:   InChI=1/C11H17FN2O5/c1-3-5-6-19-8-11(12,9(16)18-4-2)7(15)13-10(17)14-8/h8H,3-6H2,1-2H3,(H2,13,14,15,17)/t8-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=-6.74104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.264 g/mol  logS: -2.26712  SlogP: 0.6599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090352  Sterimol/B1: 2.71652  Sterimol/B2: 2.72539  Sterimol/B3: 4.09371
  Sterimol/B4: 8.25853  Sterimol/L: 14.4717 
 
 Surface and Volume Properties
  Accessible surface: 501.021  Positive charged surface: 335.083  Negative charged surface: 165.938  Volume: 242.25
  Hydrophobic surface: 270.96  Hydrophilic surface: 230.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.