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OAKWOOD-ZINC00373444

 MMsINC code: MMs02542894
Type: Neutral
Formula: C13H10F2O4
SMILES:   Fc1cc(F)ccc1OCc1oc(cc1)C(OC)=O
InChI:   InChI=1/C13H10F2O4/c1-17-13(16)12-5-3-9(19-12)7-18-11-4-2-8(14)6-10(11)15/h2-6H,7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.215 g/mol  logS: -4.07934  SlogP: 3.1898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660705  Sterimol/B1: 2.47915  Sterimol/B2: 3.21001  Sterimol/B3: 4.33278
  Sterimol/B4: 6.2141  Sterimol/L: 16.0625 
 
 Surface and Volume Properties
  Accessible surface: 486.736  Positive charged surface: 271.422  Negative charged surface: 215.314  Volume: 227.125
  Hydrophobic surface: 417.799  Hydrophilic surface: 68.937
 
 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.