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ENAMINE-ZINC05509019

 MMsINC code: MMs01618012
Type: Neutral
Formula: C26H29NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(=O)NCCC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H29NO4/c1-29-23-16-19(17-24(30-2)26(23)31-3)18-25(28)27-15-14-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,22H,14-15,18H2,1-3H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.521 g/mol  logS: -5.41722  SlogP: 4.59327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708525  Sterimol/B1: 2.16808  Sterimol/B2: 3.78899  Sterimol/B3: 5.5446
  Sterimol/B4: 9.60316  Sterimol/L: 20.5964 
 
 Surface and Volume Properties
  Accessible surface: 769.341  Positive charged surface: 559.022  Negative charged surface: 210.32  Volume: 425.875
  Hydrophobic surface: 704.603  Hydrophilic surface: 64.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.