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IBS-ZINC00242360

 MMsINC code: MMs01733531
Type: Neutral
Formula: C11H21NO5
SMILES:   O1CCN(CCOCCOCC1)C(OCC)=O
InChI:   InChI=1/C11H21NO5/c1-2-17-11(13)12-3-5-14-7-9-16-10-8-15-6-4-12/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.291 g/mol  logS: -0.63791  SlogP: 0.5083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184193  Sterimol/B1: 2.44107  Sterimol/B2: 4.27898  Sterimol/B3: 4.95307
  Sterimol/B4: 5.64233  Sterimol/L: 13.1506 
 
 Surface and Volume Properties
  Accessible surface: 461.823  Positive charged surface: 397.628  Negative charged surface: 64.1956  Volume: 241.25
  Hydrophobic surface: 390.465  Hydrophilic surface: 71.358
 
 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.