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CHEMDIV-ZINC04668248

 MMsINC code: MMs00940593
Type: Neutral
Formula: C24H32N2O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCc1ccc(cc1)C(=O)NCCCCCC
InChI:   InChI=1/C24H32N2O5/c1-5-6-7-8-13-25-23(27)18-11-9-17(10-12-18)16-26-24(28)19-14-20(29-2)22(31-4)21(15-19)30-3/h9-12,14-15H,5-8,13,16H2,1-4H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.529 g/mol  logS: -5.67082  SlogP: 4.2189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368467  Sterimol/B1: 2.39174  Sterimol/B2: 3.88653  Sterimol/B3: 6.12468
  Sterimol/B4: 6.69841  Sterimol/L: 24.8174 
 
 Surface and Volume Properties
  Accessible surface: 807.819  Positive charged surface: 618.352  Negative charged surface: 189.467  Volume: 430.25
  Hydrophobic surface: 675.545  Hydrophilic surface: 132.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.