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PUBCHEM-ZINC02008419

 MMsINC code: MMs02847693
Type: Neutral
Formula: C20H14O
SMILES:   O1C2C1c1c(CC2)cc2c3c4c(ccc13)cccc4cc2
InChI:   InChI=1/C20H14O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-6,8,10,16,20H,7,9H2/t16-,20-/m1/s1

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Potential Energy
Epot(MMFF94)=79.6155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.331 g/mol  logS: -7.1207  SlogP: 5.06557  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0225896  Sterimol/B1: 2.93786  Sterimol/B2: 2.99619  Sterimol/B3: 4.30542
  Sterimol/B4: 5.78772  Sterimol/L: 14.1055 
 
 Surface and Volume Properties
  Accessible surface: 470.259  Positive charged surface: 245.046  Negative charged surface: 192  Volume: 266.625
  Hydrophobic surface: 447.699  Hydrophilic surface: 22.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.