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PUBCHEM-ZINC05858815

 MMsINC code: MMs03421250
Type: Neutral
Formula: C10H23NO
SMILES:   O(CCCCCCCCN)CC
InChI:   InChI=1/C10H23NO/c1-2-12-10-8-6-4-3-5-7-9-11/h2-11H2,1H3

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Potential Energy
Epot(MMFF94)=1.55717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.58927  SlogP: 2.3222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237532  Sterimol/B1: 2.17595  Sterimol/B2: 2.41805  Sterimol/B3: 2.5759
  Sterimol/B4: 3.21249  Sterimol/L: 18.0814 
 
 Surface and Volume Properties
  Accessible surface: 470.282  Positive charged surface: 405.396  Negative charged surface: 64.8857  Volume: 213.125
  Hydrophobic surface: 372.769  Hydrophilic surface: 97.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs03421251
PUBCHEM-ZINC05858815