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PUBCHEM-ZINC06261871

 MMsINC code: MMs03645124
Type: Neutral
Formula: C10H20N2O3
SMILES:   OCC(NC(=O)NC1CCCCC1)CO
InChI:   InChI=1/C10H20N2O3/c13-6-9(7-14)12-10(15)11-8-4-2-1-3-5-8/h8-9,13-14H,1-7H2,(H2,11,12,15)

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Potential Energy
Epot(MMFF94)=7.50471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.67039  SlogP: -0.0285  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0664144  Sterimol/B1: 2.68174  Sterimol/B2: 3.50324  Sterimol/B3: 3.5181
  Sterimol/B4: 4.18423  Sterimol/L: 13.7062 
 
 Surface and Volume Properties
  Accessible surface: 452.915  Positive charged surface: 379.439  Negative charged surface: 73.4758  Volume: 215.75
  Hydrophobic surface: 314.265  Hydrophilic surface: 138.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.