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NCID-ZINC01648150

 MMsINC code: MMs02288423
Type: Neutral
Formula: C11H8O4
SMILES:   Oc1c(c2c(cc1O)cccc2)C(O)=O
InChI:   InChI=1/C11H8O4/c12-8-5-6-3-1-2-4-7(6)9(10(8)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)=59.2347 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: 0.0367757  Sterimol/B1: 2.54816  Sterimol/B2: 3.18879  Sterimol/B3: 4.35515
  Sterimol/B4: 5.09808  Sterimol/L: 10.6744 
 
 Surface and Volume Properties
  Accessible surface: 386.427  Positive charged surface: 199.027  Negative charged surface: 176.329  Volume: 177.75
  Hydrophobic surface: 208.588  Hydrophilic surface: 177.839
 
 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


MMs02288424
NCID-ZINC01648150