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NCID-ZINC01685361

 MMsINC code: MMs02318548
Type: Neutral
Formula: C11H20O3
SMILES:   O(C(=O)CCCCCCCC(=O)C)C
InChI:   InChI=1/C11H20O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.3836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -2.05046  SlogP: 2.4791  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0213375  Sterimol/B1: 2.37583  Sterimol/B2: 2.51205  Sterimol/B3: 2.87753
  Sterimol/B4: 3.49938  Sterimol/L: 18.243 
 
 Surface and Volume Properties
  Accessible surface: 490.056  Positive charged surface: 380.057  Negative charged surface: 109.999  Volume: 218
  Hydrophobic surface: 406.707  Hydrophilic surface: 83.349
 
 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.