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OTAVA-ZINC05484470

 MMsINC code: MMs02597858
Type: Neutral
Formula: C26H29NO4
SMILES:   O(CCCCOc1ccc(cc1)C(=O)Nc1ccccc1OCC)c1ccccc1C
InChI:   InChI=1/C26H29NO4/c1-3-29-25-13-7-5-11-23(25)27-26(28)21-14-16-22(17-15-21)30-18-8-9-19-31-24-12-6-4-10-20(24)2/h4-7,10-17H,3,8-9,18-19H2,1-2H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.521 g/mol  logS: -6.19157  SlogP: 5.88402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00978758  Sterimol/B1: 2.41194  Sterimol/B2: 2.41292  Sterimol/B3: 4.05922
  Sterimol/B4: 9.87061  Sterimol/L: 24.8194 
 
 Surface and Volume Properties
  Accessible surface: 791.707  Positive charged surface: 518.49  Negative charged surface: 273.217  Volume: 426.75
  Hydrophobic surface: 724.215  Hydrophilic surface: 67.492
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.