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ASINEX-ZINC02964290

 MMsINC code: MMs00282280
Type: Neutral
Formula: C10H18N2O3
SMILES:   O(CCNC(=O)C(=O)NC1CCCC1)C
InChI:   InChI=1/C10H18N2O3/c1-15-7-6-11-9(13)10(14)12-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=39.45 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.03424  SlogP: -0.1922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379198  Sterimol/B1: 2.46337  Sterimol/B2: 2.87346  Sterimol/B3: 3.2237
  Sterimol/B4: 5.23433  Sterimol/L: 15.6839 
 
 Surface and Volume Properties
  Accessible surface: 470.536  Positive charged surface: 374.99  Negative charged surface: 95.5465  Volume: 214.375
  Hydrophobic surface: 366.635  Hydrophilic surface: 103.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.