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NCID-ZINC01569575

 MMsINC code: MMs02230181
Type: Neutral
Formula: C10H22NO2+
SMILES:   O(C(=O)CCCC)CC[N+](C)(C)C
InChI:   InChI=1/C10H22NO2/c1-5-6-7-10(12)13-9-8-11(2,3)4/h5-9H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.291 g/mol  logS: -1.00579  SlogP: 1.426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0677944  Sterimol/B1: 3.2745  Sterimol/B2: 3.64914  Sterimol/B3: 3.65435
  Sterimol/B4: 3.86182  Sterimol/L: 14.7441 
 
 Surface and Volume Properties
  Accessible surface: 439.548  Positive charged surface: 384.52  Negative charged surface: 55.0278  Volume: 212.75
  Hydrophobic surface: 335.723  Hydrophilic surface: 103.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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.