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PUBCHEM-ZINC02094477

 MMsINC code: MMs02872212
Type: Neutral
Formula: C29H30N2O5
SMILES:   O(C)c1cc(Cc2nccc3c2cc(OC)c(OC)c3)c(NC(=O)c2ccc(cc2)CC)cc1OC
InChI:   InChI=1/C29H30N2O5/c1-6-18-7-9-19(10-8-18)29(32)31-23-17-28(36-5)26(34-3)15-21(23)13-24-22-16-27(35-4)25(33-2)14-20(22)11-12-30-24/h7-12,14-17H,6,13H2,1-5H3,(H,31,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.568 g/mol  logS: -7.12112  SlogP: 5.67464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908703  Sterimol/B1: 4.07949  Sterimol/B2: 4.11499  Sterimol/B3: 4.14905
  Sterimol/B4: 10.6046  Sterimol/L: 17.8545 
 
 Surface and Volume Properties
  Accessible surface: 765.6  Positive charged surface: 569.945  Negative charged surface: 185.923  Volume: 473
  Hydrophobic surface: 681.553  Hydrophilic surface: 84.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.