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PUBCHEM-ZINC04651089

 MMsINC code: MMs03146339
Type: Neutral
Formula: C15H28N2O
SMILES:   O=C(NC1CCCC(C)C1C)NC1CCCCC1
InChI:   InChI=1/C15H28N2O/c1-11-7-6-10-14(12(11)2)17-15(18)16-13-8-4-3-5-9-13/h11-14H,3-10H2,1-2H3,(H2,16,17,18)/t11-,12+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.314813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.402 g/mol  logS: -3.2636  SlogP: 3.443  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0904961  Sterimol/B1: 2.36725  Sterimol/B2: 3.45737  Sterimol/B3: 5.03767
  Sterimol/B4: 5.38347  Sterimol/L: 15.2937 
 
 Surface and Volume Properties
  Accessible surface: 516.364  Positive charged surface: 400.706  Negative charged surface: 115.659  Volume: 276
  Hydrophobic surface: 440.554  Hydrophilic surface: 75.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.