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PUBCHEM-ZINC06403892

 MMsINC code: MMs03708509
Type: Neutral
Formula: C15H28N2O2
SMILES:   O(CC)C1CCC(N=NC2CC(C)C(O)CC2)CC1
InChI:   InChI=1/C15H28N2O2/c1-3-19-14-7-4-12(5-8-14)16-17-13-6-9-15(18)11(2)10-13/h11-15,18H,3-10H2,1-2H3/b17-16+/t11-,12-,13-,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=36.483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -2.01088  SlogP: 3.3358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350285  Sterimol/B1: 2.97397  Sterimol/B2: 3.32625  Sterimol/B3: 3.79492
  Sterimol/B4: 4.88998  Sterimol/L: 17.8703 
 
 Surface and Volume Properties
  Accessible surface: 564.676  Positive charged surface: 452.729  Negative charged surface: 111.947  Volume: 287.75
  Hydrophobic surface: 472.814  Hydrophilic surface: 91.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.