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NCID-ZINC01687672

 MMsINC code: MMs02320370
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(=O)C(NCCCCNC(C(O)=O)C)C
InChI:   InChI=1/C10H20N2O4/c1-7(9(13)14)11-5-3-4-6-12-8(2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8+

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Potential Energy
Epot(MMFF94)=32.6423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.17406  SlogP: -0.108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346319  Sterimol/B1: 2.29812  Sterimol/B2: 2.64594  Sterimol/B3: 3.11274
  Sterimol/B4: 5.08844  Sterimol/L: 17.1751 
 
 Surface and Volume Properties
  Accessible surface: 496.226  Positive charged surface: 345.784  Negative charged surface: 150.442  Volume: 229.125
  Hydrophobic surface: 238.506  Hydrophilic surface: 257.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.