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ACROSORGANICS-ZINC00391809

 MMsINC code: MMs00007304
Type: Ionized
Formula: C12H9O2-
SMILES:   O=C([O-])Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.202 g/mol  logS: -3.55408  SlogP: 1.13217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645653  Sterimol/B1: 2.78335  Sterimol/B2: 3.22238  Sterimol/B3: 3.51144
  Sterimol/B4: 6.01196  Sterimol/L: 10.8238 
 
 Surface and Volume Properties
  Accessible surface: 369.789  Positive charged surface: 172.46  Negative charged surface: 187.965  Volume: 181.25
  Hydrophobic surface: 289.336  Hydrophilic surface: 80.453
 
 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:


MMs00007303
ACROSORGANICS-ZINC00391809