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IBS-ZINC03895810

 MMsINC code: MMs01872200
Type: Neutral
Formula: C14H30N2O4
SMILES:   O1CCN(CCOCCOCCN(CCOCC1)C)C
InChI:   InChI=1/C14H30N2O4/c1-15-3-7-17-11-13-19-9-5-16(2)6-10-20-14-12-18-8-4-15/h3-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=149.011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.404 g/mol  logS: -0.10572  SlogP: -0.07  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827903  Sterimol/B1: 2.24722  Sterimol/B2: 3.76404  Sterimol/B3: 5.90465
  Sterimol/B4: 6.34078  Sterimol/L: 13.1678 
 
 Surface and Volume Properties
  Accessible surface: 526.672  Positive charged surface: 504.709  Negative charged surface: 21.9638  Volume: 306.75
  Hydrophobic surface: 504.709  Hydrophilic surface: 21.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs01872201
IBS-ZINC03895810