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NCID-ZINC01693630

 MMsINC code: MMs02325097
Type: Neutral
Formula: C10H20O2
SMILES:   O1C(COC1CCCCCC)C
InChI:   InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.5441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -2.82246  SlogP: 2.7182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503643  Sterimol/B1: 2.91716  Sterimol/B2: 3.23605  Sterimol/B3: 3.4582
  Sterimol/B4: 3.48954  Sterimol/L: 15.3779 
 
 Surface and Volume Properties
  Accessible surface: 432.963  Positive charged surface: 349.428  Negative charged surface: 83.5344  Volume: 196.625
  Hydrophobic surface: 363.978  Hydrophilic surface: 68.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.