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IBS-ZINC04140951

 MMsINC code: MMs01881772
Type: Neutral
Formula: C18H34N2O7
SMILES:   O1CCN(CCOCCOCCN(CC1)CC(OCC)=O)CC(OCC)=O
InChI:   InChI=1/C18H34N2O7/c1-3-26-17(21)15-19-5-9-23-10-6-20(16-18(22)27-4-2)8-12-25-14-13-24-11-7-19/h3-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=185.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.477 g/mol  logS: -1.43384  SlogP: -0.22  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156564  Sterimol/B1: 4.4123  Sterimol/B2: 4.44338  Sterimol/B3: 4.95856
  Sterimol/B4: 7.06747  Sterimol/L: 17.3234 
 
 Surface and Volume Properties
  Accessible surface: 659.347  Positive charged surface: 544.118  Negative charged surface: 115.228  Volume: 383.125
  Hydrophobic surface: 528.723  Hydrophilic surface: 130.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.