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PUBCHEM-ZINC05955842

 MMsINC code: MMs03459360
Type: Neutral
Formula: C17H14O4
SMILES:   O1C=2C(=C(C)C(Cc3ccccc3)=C1O)C(O)=CC(=O)C=2
InChI:   InChI=1/C17H14O4/c1-10-13(7-11-5-3-2-4-6-11)17(20)21-15-9-12(18)8-14(19)16(10)15/h2-6,8-9,19-20H,7H2,1H3

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Potential Energy
Epot(MMFF94)=93.4914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.295 g/mol  logS: -4.23254  SlogP: 3.25387  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135939  Sterimol/B1: 2.51821  Sterimol/B2: 2.7332  Sterimol/B3: 4.79927
  Sterimol/B4: 6.97455  Sterimol/L: 13.8496 
 
 Surface and Volume Properties
  Accessible surface: 478.319  Positive charged surface: 284.507  Negative charged surface: 188.307  Volume: 261.5
  Hydrophobic surface: 356.992  Hydrophilic surface: 121.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.