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PUBCHEM-ZINC06385683

 MMsINC code: MMs03699919
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(=O)C(NCCO)CC(OCC)=O)CC
InChI:   InChI=1/C10H19NO5/c1-3-15-9(13)7-8(11-5-6-12)10(14)16-4-2/h8,11-12H,3-7H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=40.6501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.50762  SlogP: -0.5468  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0672706  Sterimol/B1: 2.91744  Sterimol/B2: 3.3386  Sterimol/B3: 3.40301
  Sterimol/B4: 7.96961  Sterimol/L: 14.7431 
 
 Surface and Volume Properties
  Accessible surface: 513.847  Positive charged surface: 393.398  Negative charged surface: 120.449  Volume: 228.375
  Hydrophobic surface: 348.985  Hydrophilic surface: 164.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.