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ACROSORGANICS-ZINC00406928

 MMsINC code: MMs00007820
Type: Ionized
Formula: C11H9O2-
SMILES:   O=C([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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.9075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.191 g/mol  logS: -2.64441  SlogP: 0.76607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314726  Sterimol/B1: 2.08761  Sterimol/B2: 2.32896  Sterimol/B3: 2.44304
  Sterimol/B4: 5.96823  Sterimol/L: 11.2623 
 
 Surface and Volume Properties
  Accessible surface: 362.111  Positive charged surface: 195.278  Negative charged surface: 166.834  Volume: 172.875
  Hydrophobic surface: 271.895  Hydrophilic surface: 90.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00007819
ACROSORGANICS-ZINC00406928