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NCID-ZINC04410600

 MMsINC code: MMs02385577
Type: Neutral
Formula: C11H22O2
SMILES:   O1C(CCOC1CCCCCC)C
InChI:   InChI=1/C11H22O2/c1-3-4-5-6-7-11-12-9-8-10(2)13-11/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)=9.98951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.295 g/mol  logS: -3.02423  SlogP: 3.1083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625134  Sterimol/B1: 2.64407  Sterimol/B2: 3.77001  Sterimol/B3: 3.77983
  Sterimol/B4: 3.9401  Sterimol/L: 14.8843 
 
 Surface and Volume Properties
  Accessible surface: 447.276  Positive charged surface: 363.384  Negative charged surface: 83.8923  Volume: 212.375
  Hydrophobic surface: 387.42  Hydrophilic surface: 59.856
 
 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.