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NCID-ZINC01615335

 MMsINC code: MMs02265015
Type: Neutral
Formula: C26H18
SMILES:   c12c(cccc1)c(c1c(cccc1)c2-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.43 g/mol  logS: -9.9934  SlogP: 7.327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746422  Sterimol/B1: 3.43077  Sterimol/B2: 3.43237  Sterimol/B3: 6.03442
  Sterimol/B4: 6.03777  Sterimol/L: 16.4797 
 
 Surface and Volume Properties
  Accessible surface: 581.423  Positive charged surface: 305.653  Negative charged surface: 255.044  Volume: 344.75
  Hydrophobic surface: 581.423  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: 0
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Ions/Tautomers related molecules: no related molecules available.