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IBS-ZINC02097440

 MMsINC code: MMs01783968
Type: Neutral
Formula: C15H32NO3+
SMILES:   O(C(=O)CCCCCCCCC(O)C[N+](C)(C)C)C
InChI:   InChI=1/C15H32NO3/c1-16(2,3)13-14(17)11-9-7-5-6-8-10-12-15(18)19-4/h14,17H,5-13H2,1-4H3/q+1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=59.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.425 g/mol  logS: -2.11179  SlogP: 2.3473  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0264071  Sterimol/B1: 2.27667  Sterimol/B2: 2.47656  Sterimol/B3: 4.21771
  Sterimol/B4: 4.58327  Sterimol/L: 21.9647 
 
 Surface and Volume Properties
  Accessible surface: 611.377  Positive charged surface: 543.167  Negative charged surface: 68.2095  Volume: 306.875
  Hydrophobic surface: 489.341  Hydrophilic surface: 122.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.