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IBS-ZINC05575839

 MMsINC code: MMs01956706
Type: Neutral
Formula: C11H22N2O4
SMILES:   O1CCN(CC1)C(=O)N(CCOC)CCOC
InChI:   InChI=1/C11H22N2O4/c1-15-7-3-12(4-8-16-2)11(14)13-5-9-17-10-6-13/h3-10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=192.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: 0.03089  SlogP: 0.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130943  Sterimol/B1: 3.25318  Sterimol/B2: 3.66966  Sterimol/B3: 4.02793
  Sterimol/B4: 5.85638  Sterimol/L: 12.3485 
 
 Surface and Volume Properties
  Accessible surface: 463.962  Positive charged surface: 430.786  Negative charged surface: 33.1757  Volume: 243.625
  Hydrophobic surface: 425.353  Hydrophilic surface: 38.609
 
 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: no related molecules available.