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ACROSORGANICS-ZINC00155050

 MMsINC code: MMs00005029
Type: Ionized
Formula: C14H7O3-
SMILES:   O=C1c2cc(ccc2-c2c1cccc2)C(=O)[O-]
InChI:   InChI=1/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.207 g/mol  logS: -4.46842  SlogP: 1.2615  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.1484e-08  Sterimol/B1: 2.09725  Sterimol/B2: 2.09775  Sterimol/B3: 3.02594
  Sterimol/B4: 5.75002  Sterimol/L: 13.4985 
 
 Surface and Volume Properties
  Accessible surface: 407.124  Positive charged surface: 171.669  Negative charged surface: 224.209  Volume: 204.125
  Hydrophobic surface: 271.508  Hydrophilic surface: 135.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00005028
ACROSORGANICS-ZINC00155050