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PUBCHEM-ZINC00402584

 MMsINC code: MMs02676321
Type: Neutral
Formula: C7H18NO+
SMILES:   OCC([N+](C)(C)C)(C)C
InChI:   InChI=1/C7H18NO/c1-7(2,6-9)8(3,4)5/h9H,6H2,1-5H3/q+1

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Potential Energy
Epot(MMFF94)=82.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.227 g/mol  logS: 0.19007  SlogP: 0.4635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.601414  Sterimol/B1: 2.3354  Sterimol/B2: 2.37434  Sterimol/B3: 4.48724
  Sterimol/B4: 4.87489  Sterimol/L: 9.10167 
 
 Surface and Volume Properties
  Accessible surface: 317.38  Positive charged surface: 272.985  Negative charged surface: 44.3954  Volume: 153.75
  Hydrophobic surface: 188.863  Hydrophilic surface: 128.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.