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IBS-ZINC02097442

 MMsINC code: MMs01783969
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-/m0/s1

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Potential Energy
Epot(MMFF94)=60.4156 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: 0.026356  Sterimol/B1: 2.27349  Sterimol/B2: 2.57417  Sterimol/B3: 3.84827
  Sterimol/B4: 4.80818  Sterimol/L: 21.9604 
 
 Surface and Volume Properties
  Accessible surface: 594.692  Positive charged surface: 528.971  Negative charged surface: 65.721  Volume: 305.375
  Hydrophobic surface: 473.138  Hydrophilic surface: 121.554
 
 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.