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IBS-ZINC04063593

 MMsINC code: MMs01878046
Type: Neutral
Formula: C14H24NO+
SMILES:   O=C1C2CCC1CCC2[N+]1(CCCCC1)C
InChI:   InChI=1/C14H24NO/c1-15(9-3-2-4-10-15)13-8-6-11-5-7-12(13)14(11)16/h11-13H,2-10H2,1H3/q+1/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=153.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.352 g/mol  logS: -1.06127  SlogP: 2.3746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248054  Sterimol/B1: 2.37122  Sterimol/B2: 2.68275  Sterimol/B3: 5.11281
  Sterimol/B4: 5.79236  Sterimol/L: 11.6952 
 
 Surface and Volume Properties
  Accessible surface: 406.674  Positive charged surface: 314.915  Negative charged surface: 91.7592  Volume: 233
  Hydrophobic surface: 345.353  Hydrophilic surface: 61.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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.