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PUBCHEM-ZINC00182698

 MMsINC code: MMs02637220
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(C)c1cc(OC)ccc1CNC1CCN(CC1)C
InChI:   InChI=1/C15H24N2O2/c1-17-8-6-13(7-9-17)16-11-12-4-5-14(18-2)10-15(12)19-3/h4-5,10,13,16H,6-9,11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.67641  SlogP: 2.154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421261  Sterimol/B1: 3.01683  Sterimol/B2: 3.40695  Sterimol/B3: 3.53387
  Sterimol/B4: 6.20782  Sterimol/L: 16.9809 
 
 Surface and Volume Properties
  Accessible surface: 537.658  Positive charged surface: 469.012  Negative charged surface: 68.6461  Volume: 279.875
  Hydrophobic surface: 506.215  Hydrophilic surface: 31.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02637221
PUBCHEM-ZINC00182698