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APOLLO-ZINC02513020

 MMsINC code: MMs00052503
Type: Neutral
Formula: C15H12O3
SMILES:   OC(=O)c1ccc(cc1)-c1cc(ccc1)C(=O)C
InChI:   InChI=1/C15H12O3/c1-10(16)13-3-2-4-14(9-13)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.258 g/mol  logS: -4.09293  SlogP: 3.2544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00395536  Sterimol/B1: 2.09623  Sterimol/B2: 2.51203  Sterimol/B3: 3.14729
  Sterimol/B4: 5.73727  Sterimol/L: 15.0801 
 
 Surface and Volume Properties
  Accessible surface: 461.831  Positive charged surface: 223.06  Negative charged surface: 228.15  Volume: 229.625
  Hydrophobic surface: 323.861  Hydrophilic surface: 137.97
 
 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


MMs00052504
APOLLO-ZINC02513020