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ACROSORGANICS-ZINC00157193

 MMsINC code: MMs00005600
Type: Neutral
Formula: C14H10O3
SMILES:   OC(=O)c1ccccc1C(=O)c1ccccc1
InChI:   InChI=1/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.3634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.231 g/mol  logS: -3.42709  SlogP: 2.6158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181809  Sterimol/B1: 3.07289  Sterimol/B2: 4.31766  Sterimol/B3: 5.05982
  Sterimol/B4: 5.14609  Sterimol/L: 12.3623 
 
 Surface and Volume Properties
  Accessible surface: 427.347  Positive charged surface: 223.581  Negative charged surface: 203.766  Volume: 214.125
  Hydrophobic surface: 320.269  Hydrophilic surface: 107.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00005601
ACROSORGANICS-ZINC00157193