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ASINEX-ZINC02482508

 MMsINC code: MMs00272853
Type: Neutral
Formula: C10H18N2O4
SMILES:   O1CCCC1CNC(=O)C(=O)NCC(O)C
InChI:   InChI=1/C10H18N2O4/c1-7(13)5-11-9(14)10(15)12-6-8-3-2-4-16-8/h7-8,13H,2-6H2,1H3,(H,11,14)(H,12,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=47.3587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.75537  SlogP: -1.2214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343376  Sterimol/B1: 2.91568  Sterimol/B2: 3.01436  Sterimol/B3: 3.18696
  Sterimol/B4: 3.99795  Sterimol/L: 16.8058 
 
 Surface and Volume Properties
  Accessible surface: 477.428  Positive charged surface: 360.33  Negative charged surface: 117.098  Volume: 221
  Hydrophobic surface: 306.504  Hydrophilic surface: 170.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.