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CHEMBRIDGE-ZINC03003420

 MMsINC code: MMs00751336
Type: Neutral
Formula: C14H24N2O3
SMILES:   O(CCOCCNCCN)c1cc(OCC)ccc1
InChI:   InChI=1/C14H24N2O3/c1-2-18-13-4-3-5-14(12-13)19-11-10-17-9-8-16-7-6-15/h3-5,12,16H,2,6-11,15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -1.41379  SlogP: 1.029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778821  Sterimol/B1: 2.53538  Sterimol/B2: 2.93382  Sterimol/B3: 5.61544
  Sterimol/B4: 7.13392  Sterimol/L: 17.6637 
 
 Surface and Volume Properties
  Accessible surface: 596.755  Positive charged surface: 477.755  Negative charged surface: 119.001  Volume: 281.875
  Hydrophobic surface: 478.559  Hydrophilic surface: 118.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00751337
CHEMBRIDGE-ZINC03003420