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PUBCHEM-ZINC05189337

 MMsINC code: MMs03221938
Type: Neutral
Formula: C12H24N2O
SMILES:   O=NN1CCCCCCCCCCCC1
InChI:   InChI=1/C12H24N2O/c15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -3.83807  SlogP: 3.8844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186025  Sterimol/B1: 2.69592  Sterimol/B2: 3.61746  Sterimol/B3: 4.16933
  Sterimol/B4: 5.73116  Sterimol/L: 10.9858 
 
 Surface and Volume Properties
  Accessible surface: 421.269  Positive charged surface: 316.706  Negative charged surface: 104.564  Volume: 236.125
  Hydrophobic surface: 420.81  Hydrophilic surface: 0.459
 
 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: no related molecules available.