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NCID-ZINC01724607

 MMsINC code: MMs02348594
Type: Neutral
Formula: C28H22
SMILES:   c1ccccc1C(=CC=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.484 g/mol  logS: -8.94676  SlogP: 6.88478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142019  Sterimol/B1: 3.42816  Sterimol/B2: 3.43039  Sterimol/B3: 5.20657
  Sterimol/B4: 9.01115  Sterimol/L: 15.6923 
 
 Surface and Volume Properties
  Accessible surface: 684.629  Positive charged surface: 375.421  Negative charged surface: 309.208  Volume: 388.5
  Hydrophobic surface: 684.629  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.