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PUBCHEM-ZINC05955253

 MMsINC code: MMs03458968
Type: Neutral
Formula: C10H24NO2+
SMILES:   O(CCCO)CC[N+](CC)(CC)C
InChI:   InChI=1/C10H24NO2/c1-4-11(3,5-2)7-10-13-9-6-8-12/h12H,4-10H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.307 g/mol  logS: -0.15434  SlogP: 0.8718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106173  Sterimol/B1: 2.05322  Sterimol/B2: 2.41998  Sterimol/B3: 4.16269
  Sterimol/B4: 5.77834  Sterimol/L: 14.2744 
 
 Surface and Volume Properties
  Accessible surface: 433.87  Positive charged surface: 367.173  Negative charged surface: 66.6971  Volume: 215.375
  Hydrophobic surface: 316.361  Hydrophilic surface: 117.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.