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ACROSORGANICS-ZINC00394830

 MMsINC code: MMs00007437
Type: Neutral
Formula: C11H14O4
SMILES:   O(C(OC)c1ccc(cc1)C(OC)=O)C
InChI:   InChI=1/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.229 g/mol  logS: -1.90618  SlogP: 1.8601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265545  Sterimol/B1: 2.52994  Sterimol/B2: 2.55697  Sterimol/B3: 3.00947
  Sterimol/B4: 5.51784  Sterimol/L: 13.9232 
 
 Surface and Volume Properties
  Accessible surface: 434.71  Positive charged surface: 330.6  Negative charged surface: 104.11  Volume: 206.625
  Hydrophobic surface: 383.756  Hydrophilic surface: 50.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.