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NCID-ZINC01614163

 MMsINC code: MMs02264096
Type: Neutral
Formula: C15H14O5
SMILES:   O1C(OC)(\C=C\c2ccccc2)C(=O)C(OC)=CC1=O
InChI:   InChI=1/C15H14O5/c1-18-12-10-13(16)20-15(19-2,14(12)17)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.272 g/mol  logS: -3.54345  SlogP: 1.6987  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108083  Sterimol/B1: 2.27094  Sterimol/B2: 3.5363  Sterimol/B3: 3.78627
  Sterimol/B4: 6.40222  Sterimol/L: 15.5046 
 
 Surface and Volume Properties
  Accessible surface: 502.059  Positive charged surface: 311.44  Negative charged surface: 190.619  Volume: 254.25
  Hydrophobic surface: 397.119  Hydrophilic surface: 104.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.