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NCID-ZINC05004041

 MMsINC code: MMs02426322
Type: Neutral
Formula: C28H34N2O5
SMILES:   O(C)c1cc(cc(OC)c1O)C1N(CCCN1Cc1ccccc1OC)Cc1ccccc1OC
InChI:   InChI=1/C28H34N2O5/c1-32-23-12-7-5-10-20(23)18-29-14-9-15-30(19-21-11-6-8-13-24(21)33-2)28(29)22-16-25(34-3)27(31)26(17-22)35-4/h5-8,10-13,16-17,28,31H,9,14-15,18-19H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.589 g/mol  logS: -4.76093  SlogP: 5.4616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.339761  Sterimol/B1: 3.02845  Sterimol/B2: 6.31341  Sterimol/B3: 6.46525
  Sterimol/B4: 8.70439  Sterimol/L: 15.6489 
 
 Surface and Volume Properties
  Accessible surface: 736.996  Positive charged surface: 567.065  Negative charged surface: 169.931  Volume: 473.125
  Hydrophobic surface: 664.397  Hydrophilic surface: 72.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.