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PUBCHEM-ZINC06094848

 MMsINC code: MMs03540935
Type: Neutral
Formula: C20H14O
SMILES:   O1C2C1c1c3c(CC2)cc2c4c3c(cc1)ccc4ccc2
InChI:   InChI=1/C20H14O/c1-2-11-4-5-12-6-8-15-18-14(7-9-16-20(15)21-16)10-13(3-1)17(11)19(12)18/h1-6,8,10,16,20H,7,9H2/t16-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=113.305 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: 0.0217361  Sterimol/B1: 2.71987  Sterimol/B2: 2.97892  Sterimol/B3: 2.97943
  Sterimol/B4: 7.6534  Sterimol/L: 12.8399 
 
 Surface and Volume Properties
  Accessible surface: 462.208  Positive charged surface: 243.59  Negative charged surface: 185.276  Volume: 262.25
  Hydrophobic surface: 440.423  Hydrophilic surface: 21.785
 
 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.