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ACROSORGANICS-ZINC00409186

 MMsINC code: MMs00007923
Type: Neutral
Formula: C14H10O3
SMILES:   OC(=O)c1cc(ccc1)C(=O)c1ccccc1
InChI:   InChI=1/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)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)=73.4945 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: 0.0365057  Sterimol/B1: 2.73998  Sterimol/B2: 2.74228  Sterimol/B3: 3.47109
  Sterimol/B4: 5.83652  Sterimol/L: 12.3099 
 
 Surface and Volume Properties
  Accessible surface: 428.577  Positive charged surface: 220.164  Negative charged surface: 208.412  Volume: 212.125
  Hydrophobic surface: 297.827  Hydrophilic surface: 130.75
 
 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


MMs00007924
ACROSORGANICS-ZINC00409186