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OAKWOOD-ZINC02569644

 MMsINC code: MMs02546376
Type: Ionized
Formula: C11H13O3-
SMILES:   OC(C(Cc1ccccc1)C(=O)[O-])C
InChI:   InChI=1/C11H14O3/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,13,14)/p-1/t8-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.8502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.222 g/mol  logS: -1.55735  SlogP: -0.02403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196555  Sterimol/B1: 2.46092  Sterimol/B2: 2.56106  Sterimol/B3: 4.69185
  Sterimol/B4: 5.53945  Sterimol/L: 11.2823 
 
 Surface and Volume Properties
  Accessible surface: 391.914  Positive charged surface: 209.462  Negative charged surface: 182.452  Volume: 191
  Hydrophobic surface: 274.13  Hydrophilic surface: 117.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02546375
OAKWOOD-ZINC02569644