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PUBCHEM-ZINC03461181

 MMsINC code: MMs03014537
Type: Neutral
Formula: C15H20N2O3
SMILES:   O(CCOCCn1ccnc1)c1cc(OCC)ccc1
InChI:   InChI=1/C15H20N2O3/c1-2-19-14-4-3-5-15(12-14)20-11-10-18-9-8-17-7-6-16-13-17/h3-7,12-13H,2,8-11H2,1H3

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Potential Energy
Epot(MMFF94)=57.3722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -2.24806  SlogP: 2.6438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262653  Sterimol/B1: 2.24178  Sterimol/B2: 3.30616  Sterimol/B3: 3.32971
  Sterimol/B4: 7.01397  Sterimol/L: 18.9348 
 
 Surface and Volume Properties
  Accessible surface: 582.592  Positive charged surface: 441.261  Negative charged surface: 141.331  Volume: 280.125
  Hydrophobic surface: 505.561  Hydrophilic surface: 77.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.