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PUBCHEM-ZINC02008019

 MMsINC code: MMs02847398
Type: Neutral
Formula: C20H12O
SMILES:   O1C2C1c1c3c4c2cc2c(c4ccc3ccc1)cccc2
InChI:   InChI=1/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H/t19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=87.3311 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: 0.00590893  Sterimol/B1: 2.10452  Sterimol/B2: 2.94105  Sterimol/B3: 4.88636
  Sterimol/B4: 5.2019  Sterimol/L: 14.2202 
 
 Surface and Volume Properties
  Accessible surface: 466.648  Positive charged surface: 224.4  Negative charged surface: 209.285  Volume: 260.625
  Hydrophobic surface: 441.918  Hydrophilic surface: 24.73
 
 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.