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MDPI-ZINC03847892

 MMsINC code: MMs02181410
Type: Neutral
Formula: C15H10O4
SMILES:   O1C(OC(=O)c2ccccc2)c2c(cccc2)C1=O
InChI:   InChI=1/C15H10O4/c16-13(10-6-2-1-3-7-10)18-15-12-9-5-4-8-11(12)14(17)19-15/h1-9,15H/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=51.1433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.241 g/mol  logS: -3.94581  SlogP: 2.8081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595028  Sterimol/B1: 2.88278  Sterimol/B2: 3.15554  Sterimol/B3: 3.74189
  Sterimol/B4: 5.51511  Sterimol/L: 14.4747 
 
 Surface and Volume Properties
  Accessible surface: 470.739  Positive charged surface: 239.809  Negative charged surface: 230.931  Volume: 232.5
  Hydrophobic surface: 368.202  Hydrophilic surface: 102.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.