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PUBCHEM-ZINC02001172

 MMsINC code: MMs02843440
Type: Neutral
Formula: C20H12O
SMILES:   O1C2C1c1c3c4c2c2c(cc4ccc3ccc1)cccc2
InChI:   InChI=1/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H/t19-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=87.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.315 g/mol  logS: -7.40596  SlogP: 5.4632  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0059551  Sterimol/B1: 2.10105  Sterimol/B2: 2.94557  Sterimol/B3: 5.04533
  Sterimol/B4: 5.0658  Sterimol/L: 14.302 
 
 Surface and Volume Properties
  Accessible surface: 465.273  Positive charged surface: 223.741  Negative charged surface: 208.57  Volume: 261.75
  Hydrophobic surface: 440.778  Hydrophilic surface: 24.495
 
 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.