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ACROSORGANICS-ZINC00065313

 MMsINC code: MMs00003632
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C(NC1CCCCC1)NC1CCCCC1
InChI:   InChI=1/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=-16.202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -2.54661  SlogP: 2.951  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0711309  Sterimol/B1: 3.19324  Sterimol/B2: 3.2736  Sterimol/B3: 3.52414
  Sterimol/B4: 3.77989  Sterimol/L: 15.4321 
 
 Surface and Volume Properties
  Accessible surface: 476.63  Positive charged surface: 386.774  Negative charged surface: 89.8566  Volume: 241.375
  Hydrophobic surface: 420.838  Hydrophilic surface: 55.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.