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CHEMBRIDGE-ZINC04819918

 MMsINC code: MMs00791888
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C(N1CCN(CC1)CC)C1CCCCC1
InChI:   InChI=1/C13H24N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h12H,2-11H2,1H3

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Potential Energy
Epot(MMFF94)=44.2943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -1.88558  SlogP: 1.7308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948458  Sterimol/B1: 2.23345  Sterimol/B2: 3.27799  Sterimol/B3: 3.52386
  Sterimol/B4: 5.89789  Sterimol/L: 14.1354 
 
 Surface and Volume Properties
  Accessible surface: 464.484  Positive charged surface: 383.469  Negative charged surface: 81.0151  Volume: 244.25
  Hydrophobic surface: 415.291  Hydrophilic surface: 49.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00791889
CHEMBRIDGE-ZINC04819918