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ENAMINE-ZINC03216565

 MMsINC code: MMs01310455
Type: Neutral
Formula: C29H23NO6
SMILES:   O(c1ccccc1NC(=O)COC(=O)c1cc(ccc1)-c1ccc(OC(=O)C)cc1)c1ccccc1
InChI:   InChI=1/C29H23NO6/c1-20(31)35-25-16-14-21(15-17-25)22-8-7-9-23(18-22)29(33)34-19-28(32)30-26-12-5-6-13-27(26)36-24-10-3-2-4-11-24/h2-18H,19H2,1H3,(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.504 g/mol  logS: -8.32565  SlogP: 5.8667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171556  Sterimol/B1: 2.74597  Sterimol/B2: 2.78972  Sterimol/B3: 4.98965
  Sterimol/B4: 7.73052  Sterimol/L: 25.9934 
 
 Surface and Volume Properties
  Accessible surface: 826.069  Positive charged surface: 449.543  Negative charged surface: 366.479  Volume: 453.875
  Hydrophobic surface: 702.789  Hydrophilic surface: 123.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.