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NIH-ZINC04437267

 MMsINC code: MMs02535942
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C(NC1CCCCCC1)CNC=O
InChI:   InChI=1/C10H18N2O2/c13-8-11-7-10(14)12-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=31.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -1.81832  SlogP: 0.5714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866547  Sterimol/B1: 2.41932  Sterimol/B2: 2.98769  Sterimol/B3: 3.83211
  Sterimol/B4: 4.91254  Sterimol/L: 13.6275 
 
 Surface and Volume Properties
  Accessible surface: 422.873  Positive charged surface: 325.553  Negative charged surface: 97.3205  Volume: 201.125
  Hydrophobic surface: 287.671  Hydrophilic surface: 135.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.