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NCID-ZINC01602680

 MMsINC code: MMs02255481
Type: Neutral
Formula: C11H22O3
SMILES:   O1C(COC1CCCCCC)COC
InChI:   InChI=1/C11H22O3/c1-3-4-5-6-7-11-13-9-10(14-11)8-12-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.7391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.63789  SlogP: 2.3447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375334  Sterimol/B1: 2.9117  Sterimol/B2: 3.4396  Sterimol/B3: 3.47526
  Sterimol/B4: 4.17261  Sterimol/L: 17.2014 
 
 Surface and Volume Properties
  Accessible surface: 484.427  Positive charged surface: 414.478  Negative charged surface: 69.9493  Volume: 223.125
  Hydrophobic surface: 429.687  Hydrophilic surface: 54.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.