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IBS-ZINC00537253

 MMsINC code: MMs01749903
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCC1)C(C)C)C
InChI:   InChI=1/C11H20N2O3/c1-8(2)9(10(14)16-3)12-11(15)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=29.4772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.18964  SlogP: 0.9894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747174  Sterimol/B1: 3.02254  Sterimol/B2: 3.0289  Sterimol/B3: 3.73213
  Sterimol/B4: 6.02041  Sterimol/L: 13.9971 
 
 Surface and Volume Properties
  Accessible surface: 463.044  Positive charged surface: 368.649  Negative charged surface: 94.3945  Volume: 229.875
  Hydrophobic surface: 370.585  Hydrophilic surface: 92.459
 
 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.