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PUBCHEM-ZINC04600395

 MMsINC code: MMs03140349
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C(NC1CCCC1)C(=O)NC(C)C
InChI:   InChI=1/C10H18N2O2/c1-7(2)11-9(13)10(14)12-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=30.354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -1.54602  SlogP: 0.5698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728037  Sterimol/B1: 2.72871  Sterimol/B2: 2.78986  Sterimol/B3: 3.83295
  Sterimol/B4: 4.10584  Sterimol/L: 14.3569 
 
 Surface and Volume Properties
  Accessible surface: 444.975  Positive charged surface: 320.111  Negative charged surface: 124.864  Volume: 204.625
  Hydrophobic surface: 312.409  Hydrophilic surface: 132.566
 
 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.