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CHEMBRIDGE-ZINC02464379

 MMsINC code: MMs00709595
Type: Neutral
Formula: C11H16O3
SMILES:   O(C)c1cc(ccc1OC)C(O)CC
InChI:   InChI=1/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.246 g/mol  logS: -1.78564  SlogP: 2.2427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655852  Sterimol/B1: 2.43866  Sterimol/B2: 3.66798  Sterimol/B3: 3.75087
  Sterimol/B4: 5.88223  Sterimol/L: 12.9868 
 
 Surface and Volume Properties
  Accessible surface: 421.511  Positive charged surface: 325.352  Negative charged surface: 96.1594  Volume: 203.5
  Hydrophobic surface: 345.552  Hydrophilic surface: 75.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.