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PUBCHEM-ZINC05934506

 MMsINC code: MMs03452246
Type: Neutral
Formula: C15H10O4
SMILES:   O1C2=CC(=O)C=CC2=C(O)C(c2ccccc2)=C1O
InChI:   InChI=1/C15H10O4/c16-10-6-7-11-12(8-10)19-15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,17-18H

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Potential Energy
Epot(MMFF94)=84.5815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.241 g/mol  logS: -3.84067  SlogP: 2.7783  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0595016  Sterimol/B1: 3.20394  Sterimol/B2: 3.29192  Sterimol/B3: 3.51299
  Sterimol/B4: 5.21858  Sterimol/L: 14.7766 
 
 Surface and Volume Properties
  Accessible surface: 450.283  Positive charged surface: 242.202  Negative charged surface: 203.107  Volume: 228.25
  Hydrophobic surface: 325.499  Hydrophilic surface: 124.784
 
 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.