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NCID-ZINC01671490

 MMsINC code: MMs02307499
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC(=O)CCN1CCN(CC1)CCC(O)=O
InChI:   InChI=1/C10H18N2O4/c13-9(14)1-3-11-5-7-12(8-6-11)4-2-10(15)16/h1-8H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=27.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: 0.70932  SlogP: -0.4466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453377  Sterimol/B1: 2.36743  Sterimol/B2: 2.71912  Sterimol/B3: 3.26981
  Sterimol/B4: 5.03923  Sterimol/L: 16.1562 
 
 Surface and Volume Properties
  Accessible surface: 452.136  Positive charged surface: 339.303  Negative charged surface: 112.833  Volume: 219.125
  Hydrophobic surface: 249.864  Hydrophilic surface: 202.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.