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CHEMBRIDGE-ZINC04845199

 MMsINC code: MMs00801538
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(CCN1CCN(CC1)C)c1ccc(OCC)cc1
InChI:   InChI=1/C15H24N2O2/c1-3-18-14-4-6-15(7-5-14)19-13-12-17-10-8-16(2)9-11-17/h4-7H,3,8-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.75747  SlogP: 1.7115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685543  Sterimol/B1: 3.09232  Sterimol/B2: 3.23099  Sterimol/B3: 4.64045
  Sterimol/B4: 5.18584  Sterimol/L: 17.6944 
 
 Surface and Volume Properties
  Accessible surface: 553.829  Positive charged surface: 451.813  Negative charged surface: 102.016  Volume: 279.125
  Hydrophobic surface: 514.25  Hydrophilic surface: 39.579
 
 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


MMs00801539
CHEMBRIDGE-ZINC04845199