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CHEMSTAR-ZINC04506187

 MMsINC code: MMs01113235
Type: Neutral
Formula: C10H18N2O4
SMILES:   O1CCN(CC1)CCNC(=O)C(OCC)=O
InChI:   InChI=1/C10H18N2O4/c1-2-16-10(14)9(13)11-3-4-12-5-7-15-8-6-12/h2-8H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=65.7558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.68786  SlogP: -1.0021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279413  Sterimol/B1: 2.81544  Sterimol/B2: 3.32744  Sterimol/B3: 3.38216
  Sterimol/B4: 4.11448  Sterimol/L: 16.8655 
 
 Surface and Volume Properties
  Accessible surface: 480.522  Positive charged surface: 381.016  Negative charged surface: 99.5059  Volume: 222.25
  Hydrophobic surface: 340.549  Hydrophilic surface: 139.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs01113236
CHEMSTAR-ZINC04506187