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CHEMBRIDGE-ZINC04867462

 MMsINC code: MMs00805831
Type: Neutral
Formula: C12H24N2O
SMILES:   O=C(NC1CCCCCC1)N(CC)CC
InChI:   InChI=1/C12H24N2O/c1-3-14(4-2)12(15)13-11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=5.73321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -2.13912  SlogP: 2.7606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831955  Sterimol/B1: 2.32226  Sterimol/B2: 3.04775  Sterimol/B3: 3.4405
  Sterimol/B4: 6.49628  Sterimol/L: 12.8283 
 
 Surface and Volume Properties
  Accessible surface: 454.592  Positive charged surface: 350.786  Negative charged surface: 103.805  Volume: 237.75
  Hydrophobic surface: 384.865  Hydrophilic surface: 69.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.