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PUBCHEM-ZINC02494231

 MMsINC code: MMs02889514
Type: Neutral
Formula: C15H20N2O
SMILES:   O(CCCCn1ccnc1)c1ccc(cc1C)C
InChI:   InChI=1/C15H20N2O/c1-13-5-6-15(14(2)11-13)18-10-4-3-8-17-9-7-16-12-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=41.4431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.338 g/mol  logS: -2.76576  SlogP: 3.62554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331474  Sterimol/B1: 2.63867  Sterimol/B2: 3.51069  Sterimol/B3: 3.70385
  Sterimol/B4: 6.15957  Sterimol/L: 17.2286 
 
 Surface and Volume Properties
  Accessible surface: 535.556  Positive charged surface: 390.041  Negative charged surface: 145.516  Volume: 263.625
  Hydrophobic surface: 496.429  Hydrophilic surface: 39.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.