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NCID-ZINC01691028

 MMsINC code: MMs02323185
Type: Neutral
Formula: C10H22O2
SMILES:   O(CCCCCCCCOC)C
InChI:   InChI=1/C10H22O2/c1-11-9-7-5-3-4-6-8-10-12-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.5522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.284 g/mol  logS: -1.71334  SlogP: 2.6198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242562  Sterimol/B1: 2.37478  Sterimol/B2: 2.37589  Sterimol/B3: 2.70076
  Sterimol/B4: 2.75125  Sterimol/L: 18.1178 
 
 Surface and Volume Properties
  Accessible surface: 467.395  Positive charged surface: 423.578  Negative charged surface: 43.8172  Volume: 205.875
  Hydrophobic surface: 448.244  Hydrophilic surface: 19.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.