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NCID-ZINC04771155

 MMsINC code: MMs02402423
Type: Neutral
Formula: C26H34N4O6
SMILES:   O(C(=O)c1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(cc2)C(OCC)=O)cc1)CC
InChI:   InChI=1/C26H34N4O6/c1-3-35-23(31)19-9-13-21(14-10-19)29-25(33)27-17-7-5-6-8-18-28-26(34)30-22-15-11-20(12-16-22)24(32)36-4-2/h9-16H,3-8,17-18H2,1-2H3,(H2,27,29,33)(H2,28,30,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.58 g/mol  logS: -5.4908  SlogP: 4.5436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00468877  Sterimol/B1: 2.48723  Sterimol/B2: 3.4297  Sterimol/B3: 3.97298
  Sterimol/B4: 5.70879  Sterimol/L: 34.1535 
 
 Surface and Volume Properties
  Accessible surface: 940.001  Positive charged surface: 663.42  Negative charged surface: 276.582  Volume: 485
  Hydrophobic surface: 682.358  Hydrophilic surface: 257.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.