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NCID-ZINC01611750

 MMsINC code: MMs02262321
Type: Neutral
Formula: C11H8O4
SMILES:   Oc1c(cc2c(cccc2)c1O)C(O)=O
InChI:   InChI=1/C11H8O4/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,12-13H,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.181 g/mol  logS: -2.50826  SlogP: 1.9492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0102363  Sterimol/B1: 2.12841  Sterimol/B2: 2.18594  Sterimol/B3: 2.94925
  Sterimol/B4: 5.99304  Sterimol/L: 11.5591 
 
 Surface and Volume Properties
  Accessible surface: 382.005  Positive charged surface: 211.245  Negative charged surface: 159.689  Volume: 179.125
  Hydrophobic surface: 207.66  Hydrophilic surface: 174.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02262322
NCID-ZINC01611750