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ASINEX-ZINC04502813

 MMsINC code: MMs00344529
Type: Neutral
Formula: C11H20N2O
SMILES:   O=C(NC1CCNCC1)C1CCCC1
InChI:   InChI=1/C11H20N2O/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10/h9-10,12H,1-8H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=9.28913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.294 g/mol  logS: -1.42173  SlogP: 1.0448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666342  Sterimol/B1: 2.64448  Sterimol/B2: 2.88089  Sterimol/B3: 3.32504
  Sterimol/B4: 4.55386  Sterimol/L: 13.2373 
 
 Surface and Volume Properties
  Accessible surface: 432.758  Positive charged surface: 355.926  Negative charged surface: 76.8321  Volume: 211.625
  Hydrophobic surface: 371.636  Hydrophilic surface: 61.122
 
 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


MMs00344530
ASINEX-ZINC04502813