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PUBCHEM-ZINC02561758

MMsINC code: MMs02901282

Type: Neutral
Formula: C16H10O4
SMILES:   Oc1ccc(O)cc1C=C1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C16H10O4/c17-10-5-6-14(18)9(7-10)8-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,17-18H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=84.5978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.252 g/mol  logS: -3.70295  SlogP: 2.5604  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0354317  Sterimol/B1: 2.77681  Sterimol/B2: 3.05002  Sterimol/B3: 4.57068
  Sterimol/B4: 4.74068  Sterimol/L: 14.1708 
 
 Surface and Volume Properties
  Accessible surface: 466.93  Positive charged surface: 252.232  Negative charged surface: 214.698  Volume: 238.625
  Hydrophobic surface: 309.284  Hydrophilic surface: 157.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.