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PUBCHEM-ZINC05934541

 MMsINC code: MMs03452279
Type: Neutral
Formula: C15H10O3
SMILES:   O1C2=CC(=O)C=CC2=C(O)C=C1c1ccccc1
InChI:   InChI=1/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,17H

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Potential Energy
Epot(MMFF94)=78.5121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.242 g/mol  logS: -4.16659  SlogP: 2.8926  Reactive groups: 1
 
 Topological Properties
  Globularity: 1.58052e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09926  Sterimol/B3: 3.89635
  Sterimol/B4: 5.47001  Sterimol/L: 14.2355 
 
 Surface and Volume Properties
  Accessible surface: 446.341  Positive charged surface: 221.858  Negative charged surface: 218.947  Volume: 224.125
  Hydrophobic surface: 353.038  Hydrophilic surface: 93.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.