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ACROSORGANICS-ZINC00157472

 MMsINC code: MMs00005680
Type: Ionized
Formula: C13H9O2-
SMILES:   O=C([O-])c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.0496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.213 g/mol  logS: -4.04111  SlogP: 1.7171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418639  Sterimol/B1: 2.64378  Sterimol/B2: 2.64455  Sterimol/B3: 3.45733
  Sterimol/B4: 3.45746  Sterimol/L: 13.6333 
 
 Surface and Volume Properties
  Accessible surface: 403.502  Positive charged surface: 184.38  Negative charged surface: 213.98  Volume: 198.125
  Hydrophobic surface: 314.408  Hydrophilic surface: 89.094
 
 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:


MMs00005679
ACROSORGANICS-ZINC00157472