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CHEMBRIDGE-ZINC04810798

 MMsINC code: MMs00789337
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(C(=O)NC1CCCCC1NC(OC)=O)C
InChI:   InChI=1/C10H18N2O4/c1-15-9(13)11-7-5-3-4-6-8(7)12-10(14)16-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t7-,8+

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Potential Energy
Epot(MMFF94)=-7.87529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -1.04524  SlogP: 1.0096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105431  Sterimol/B1: 3.02287  Sterimol/B2: 3.1697  Sterimol/B3: 3.38318
  Sterimol/B4: 6.81972  Sterimol/L: 13.2843 
 
 Surface and Volume Properties
  Accessible surface: 457.565  Positive charged surface: 365.312  Negative charged surface: 92.2529  Volume: 220.375
  Hydrophobic surface: 354.01  Hydrophilic surface: 103.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.