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PUBCHEM-ZINC03080851

MMsINC code: MMs02991063

Type: Neutral
Formula: C27H22O2
SMILES:   O(C(=O)c1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1)CC
InChI:   InChI=1/C27H22O2/c1-2-29-27(28)26-24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(26)22-16-10-5-11-17-22/h3-19H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=127.395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.471 g/mol  logS: -9.37296  SlogP: 6.8643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878837  Sterimol/B1: 2.0786  Sterimol/B2: 5.52729  Sterimol/B3: 7.27831
  Sterimol/B4: 7.3753  Sterimol/L: 16.5538 
 
 Surface and Volume Properties
  Accessible surface: 652.241  Positive charged surface: 348.003  Negative charged surface: 288.03  Volume: 389.875
  Hydrophobic surface: 608.425  Hydrophilic surface: 43.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.