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NCID-ZINC01665117

 MMsINC code: MMs02301285
Type: Neutral
Formula: C11H20NO4+
SMILES:   O(C(=O)C([N+]1(CC1)C)CC(OCC)=O)CC
InChI:   InChI=1/C11H20NO4/c1-4-15-10(13)8-9(11(14)16-5-2)12(3)6-7-12/h9H,4-8H2,1-3H3/q+1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=56.6194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.284 g/mol  logS: -0.85957  SlogP: 0.3315  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0951522  Sterimol/B1: 2.78063  Sterimol/B2: 3.38398  Sterimol/B3: 3.75199
  Sterimol/B4: 7.09841  Sterimol/L: 14.7496 
 
 Surface and Volume Properties
  Accessible surface: 483.143  Positive charged surface: 396.642  Negative charged surface: 86.5015  Volume: 232.625
  Hydrophobic surface: 378.198  Hydrophilic surface: 104.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.