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NCID-ZINC01651539

 MMsINC code: MMs02290903
Type: Neutral
Formula: C12H10O4
SMILES:   Oc1cc2cc(ccc2cc1O)C(OC)=O
InChI:   InChI=1/C12H10O4/c1-16-12(15)8-3-2-7-5-10(13)11(14)6-9(7)4-8/h2-6,13-14H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.9103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.208 g/mol  logS: -2.92059  SlogP: 2.0376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00927252  Sterimol/B1: 2.36698  Sterimol/B2: 2.38192  Sterimol/B3: 3.83251
  Sterimol/B4: 4.47906  Sterimol/L: 13.997 
 
 Surface and Volume Properties
  Accessible surface: 427.122  Positive charged surface: 265.883  Negative charged surface: 148.736  Volume: 197.875
  Hydrophobic surface: 288.729  Hydrophilic surface: 138.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.