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NCID-ZINC01615336

 MMsINC code: MMs02265016
Type: Neutral
Formula: C26H20
SMILES:   c1cc(ccc1-c1ccccc1)\C=C\c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H/b12-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.446 g/mol  logS: -9.11182  SlogP: 7.191  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.32358e-07  Sterimol/B1: 2.10165  Sterimol/B2: 2.10244  Sterimol/B3: 3.78202
  Sterimol/B4: 4.25768  Sterimol/L: 22.8178 
 
 Surface and Volume Properties
  Accessible surface: 643.077  Positive charged surface: 285.417  Negative charged surface: 335.517  Volume: 358.625
  Hydrophobic surface: 643.077  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.