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ACROSORGANICS-ZINC00406928

 MMsINC code: MMs00007819
Type: Neutral
Formula: C11H10O2
SMILES:   OC(=O)C=1Cc2c(cccc2)C=1C
InChI:   InChI=1/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.199 g/mol  logS: -2.38396  SlogP: 2.10077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023023  Sterimol/B1: 2.01492  Sterimol/B2: 2.37632  Sterimol/B3: 2.38278
  Sterimol/B4: 6.22325  Sterimol/L: 11.5329 
 
 Surface and Volume Properties
  Accessible surface: 369.537  Positive charged surface: 220.808  Negative charged surface: 148.729  Volume: 170.875
  Hydrophobic surface: 277.54  Hydrophilic surface: 91.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00007820
ACROSORGANICS-ZINC00406928