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NCID-ZINC01668622

 MMsINC code: MMs02304710
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(NC)CCCCCCCCC(=O)NC
InChI:   InChI=1/C12H24N2O2/c1-13-11(15)9-7-5-3-4-6-8-10-12(16)14-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=-1.70443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -2.16394  SlogP: 1.5992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150011  Sterimol/B1: 2.37516  Sterimol/B2: 2.37575  Sterimol/B3: 2.79102
  Sterimol/B4: 3.44631  Sterimol/L: 20.7834 
 
 Surface and Volume Properties
  Accessible surface: 540.806  Positive charged surface: 467.282  Negative charged surface: 73.5237  Volume: 252.75
  Hydrophobic surface: 428.344  Hydrophilic surface: 112.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.