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NCID-ZINC01577202

 MMsINC code: MMs02235497
Type: Neutral
Formula: C15H12O4
SMILES:   O(C(=O)c1ccccc1)COC(=O)c1ccccc1
InChI:   InChI=1/C15H12O4/c16-14(12-7-3-1-4-8-12)18-11-19-15(17)13-9-5-2-6-10-13/h1-10H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.257 g/mol  logS: -3.64818  SlogP: 2.6579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13173  Sterimol/B1: 2.12302  Sterimol/B2: 3.53099  Sterimol/B3: 4.199
  Sterimol/B4: 6.05449  Sterimol/L: 14.8748 
 
 Surface and Volume Properties
  Accessible surface: 500.155  Positive charged surface: 272.939  Negative charged surface: 227.217  Volume: 243
  Hydrophobic surface: 417.946  Hydrophilic surface: 82.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.