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ASINEX-ZINC04535526

 MMsINC code: MMs00349193
Type: Neutral
Formula: C11H20N2O3
SMILES:   O1CCCC1CNC(=O)C(=O)NC(CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-8(2)13-11(15)10(14)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=39.3695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.48689  SlogP: 0.1963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041682  Sterimol/B1: 2.09148  Sterimol/B2: 2.56401  Sterimol/B3: 3.59171
  Sterimol/B4: 5.70095  Sterimol/L: 15.5735 
 
 Surface and Volume Properties
  Accessible surface: 489.482  Positive charged surface: 364.711  Negative charged surface: 124.77  Volume: 229.75
  Hydrophobic surface: 349.281  Hydrophilic surface: 140.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.