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CHEMBRIDGE-ZINC04810800

 MMsINC code: MMs00789339
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.2096 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: 0.0819452  Sterimol/B1: 2.37489  Sterimol/B2: 3.0392  Sterimol/B3: 3.08404
  Sterimol/B4: 8.13414  Sterimol/L: 13.0919 
 
 Surface and Volume Properties
  Accessible surface: 465.754  Positive charged surface: 375.738  Negative charged surface: 90.0164  Volume: 219.5
  Hydrophobic surface: 353.552  Hydrophilic surface: 112.202
 
 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.