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PUBCHEM-ZINC05832763

 MMsINC code: MMs03406334
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C1NC(CC1)C(=O)N(CCC)CCC
InChI:   InChI=1/C11H20N2O2/c1-3-7-13(8-4-2)11(15)9-5-6-10(14)12-9/h9H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=27.699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.12018  SlogP: 0.9136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158519  Sterimol/B1: 2.10145  Sterimol/B2: 2.95959  Sterimol/B3: 3.75641
  Sterimol/B4: 7.75817  Sterimol/L: 12.5969 
 
 Surface and Volume Properties
  Accessible surface: 453.971  Positive charged surface: 317.403  Negative charged surface: 136.568  Volume: 223
  Hydrophobic surface: 301.874  Hydrophilic surface: 152.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.