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NCID-ZINC01736031

 MMsINC code: MMs02357732
Type: Neutral
Formula: C11H24NO2+
SMILES:   O(C(=O)CCCCC)CC[N+](C)(C)C
InChI:   InChI=1/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.318 g/mol  logS: -1.52101  SlogP: 1.8161  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0533025  Sterimol/B1: 3.12741  Sterimol/B2: 3.40847  Sterimol/B3: 3.49549
  Sterimol/B4: 4.4836  Sterimol/L: 16.0373 
 
 Surface and Volume Properties
  Accessible surface: 470.918  Positive charged surface: 411.338  Negative charged surface: 59.58  Volume: 229.125
  Hydrophobic surface: 364.906  Hydrophilic surface: 106.012
 
 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.