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MDPI-ZINC03847921

 MMsINC code: MMs02181422
Type: Neutral
Formula: C14H14O4
SMILES:   O1C(=O)C(=Cc2ccccc2C)C(OC1(C)C)=O
InChI:   InChI=1/C14H14O4/c1-9-6-4-5-7-10(9)8-11-12(15)17-14(2,3)18-13(11)16/h4-8H,1-3H3

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Potential Energy
Epot(MMFF94)=61.7045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.262 g/mol  logS: -4.02333  SlogP: 2.21452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673958  Sterimol/B1: 2.57969  Sterimol/B2: 3.1931  Sterimol/B3: 3.33147
  Sterimol/B4: 6.73772  Sterimol/L: 13.3149 
 
 Surface and Volume Properties
  Accessible surface: 454.009  Positive charged surface: 249.966  Negative charged surface: 204.043  Volume: 232.75
  Hydrophobic surface: 328.881  Hydrophilic surface: 125.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.