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NCID-ZINC01696866

 MMsINC code: MMs02327563
Type: Neutral
Formula: C11H24O3
SMILES:   O(CC(O)COCCCC)CCCC
InChI:   InChI=1/C11H24O3/c1-3-5-7-13-9-11(12)10-14-8-6-4-2/h11-12H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.31 g/mol  logS: -1.76168  SlogP: 1.9807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256135  Sterimol/B1: 2.15212  Sterimol/B2: 2.38573  Sterimol/B3: 3.40932
  Sterimol/B4: 3.69429  Sterimol/L: 19.4444 
 
 Surface and Volume Properties
  Accessible surface: 520.447  Positive charged surface: 425.558  Negative charged surface: 94.8886  Volume: 231.125
  Hydrophobic surface: 419.716  Hydrophilic surface: 100.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.