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CHEMBRIDGE-ZINC03002261

 MMsINC code: MMs00750623
Type: Neutral
Formula: C15H20N2O2
SMILES:   O(CCCCn1ccnc1)c1ccc(OCC)cc1
InChI:   InChI=1/C15H20N2O2/c1-2-18-14-5-7-15(8-6-14)19-12-4-3-10-17-11-9-16-13-17/h5-9,11,13H,2-4,10,12H2,1H3

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Potential Energy
Epot(MMFF94)=45.7486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -2.50896  SlogP: 3.4074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259981  Sterimol/B1: 2.5608  Sterimol/B2: 3.51211  Sterimol/B3: 3.69851
  Sterimol/B4: 6.26838  Sterimol/L: 18.3794 
 
 Surface and Volume Properties
  Accessible surface: 556.383  Positive charged surface: 412.47  Negative charged surface: 143.914  Volume: 271.375
  Hydrophobic surface: 483.136  Hydrophilic surface: 73.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.