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ACROSORGANICS-ZINC02557050

 MMsINC code: MMs00014241
Type: Neutral
Formula: C11H19ClO3
SMILES:   ClC(=O)CCCCCCCCC(OC)=O
InChI:   InChI=1/C11H19ClO3/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.4556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.723 g/mol  logS: -3.37956  SlogP: 3.3111  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0217018  Sterimol/B1: 2.37489  Sterimol/B2: 2.37583  Sterimol/B3: 2.73972
  Sterimol/B4: 3.43514  Sterimol/L: 19.5642 
 
 Surface and Volume Properties
  Accessible surface: 510.771  Positive charged surface: 345.3  Negative charged surface: 165.471  Volume: 232.875
  Hydrophobic surface: 350.684  Hydrophilic surface: 160.087
 
 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.