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PUBCHEM-ZINC05821427

 MMsINC code: MMs03400476
Type: Neutral
Formula: C9H11FN2O4
SMILES:   FC1=CN(C(OCCCC)=O)C(=O)NC1=O
InChI:   InChI=1/C9H11FN2O4/c1-2-3-4-16-9(15)12-5-6(10)7(13)11-8(12)14/h5H,2-4H2,1H3,(H,11,13,14)

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Potential Energy
Epot(MMFF94)=3.91404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.195 g/mol  logS: -2.20463  SlogP: 1.3947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182121  Sterimol/B1: 2.37553  Sterimol/B2: 2.37718  Sterimol/B3: 3.22276
  Sterimol/B4: 4.47671  Sterimol/L: 14.9573 
 
 Surface and Volume Properties
  Accessible surface: 425.95  Positive charged surface: 256.023  Negative charged surface: 169.928  Volume: 193.625
  Hydrophobic surface: 247.07  Hydrophilic surface: 178.88
 
 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.