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ACROSORGANICS-ZINC02516952

 MMsINC code: MMs00013886
Type: Neutral
Formula: C10H21NO4
SMILES:   O1CCN(CCOCCOCC1)COC
InChI:   InChI=1/C10H21NO4/c1-12-10-11-2-4-13-6-8-15-9-7-14-5-3-11/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=185.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.281 g/mol  logS: 0.08667  SlogP: -0.0443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272079  Sterimol/B1: 2.16531  Sterimol/B2: 4.75587  Sterimol/B3: 4.93553
  Sterimol/B4: 4.99102  Sterimol/L: 11.2586 
 
 Surface and Volume Properties
  Accessible surface: 412.224  Positive charged surface: 382.061  Negative charged surface: 30.1639  Volume: 219
  Hydrophobic surface: 378.096  Hydrophilic surface: 34.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.