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PUBCHEM-ZINC06070868

 MMsINC code: MMs03523712
Type: Neutral
Formula: C19H32O2
SMILES:   O(Cc1ccc(cc1)C)CCC(CCCC(COC)C)C
InChI:   InChI=1/C19H32O2/c1-16(6-5-7-18(3)14-20-4)12-13-21-15-19-10-8-17(2)9-11-19/h8-11,16,18H,5-7,12-15H2,1-4H3/t16-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.463 g/mol  logS: -4.67215  SlogP: 5.25702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354699  Sterimol/B1: 2.39246  Sterimol/B2: 3.22324  Sterimol/B3: 4.09067
  Sterimol/B4: 5.85054  Sterimol/L: 22.9496 
 
 Surface and Volume Properties
  Accessible surface: 662.071  Positive charged surface: 503.046  Negative charged surface: 159.025  Volume: 338.875
  Hydrophobic surface: 608.438  Hydrophilic surface: 53.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.