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ENAMINE-ZINC05417097

 MMsINC code: MMs01610689
Type: Neutral
Formula: C24H34N2O5
SMILES:   O(C)c1cc(cc(OC)c1O)C=C(C(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H34N2O5/c1-30-20-14-16(15-21(31-2)22(20)27)13-19(23(28)25-17-9-5-3-6-10-17)24(29)26-18-11-7-4-8-12-18/h13-15,17-18,27H,3-12H2,1-2H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.18 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.545 g/mol  logS: -4.90008  SlogP: 3.6906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153344  Sterimol/B1: 2.1414  Sterimol/B2: 2.30351  Sterimol/B3: 7.44899
  Sterimol/B4: 11.2381  Sterimol/L: 17.2442 
 
 Surface and Volume Properties
  Accessible surface: 721.695  Positive charged surface: 557.534  Negative charged surface: 164.161  Volume: 423.375
  Hydrophobic surface: 603.141  Hydrophilic surface: 118.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.