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PUBCHEM-ZINC04565895

 MMsINC code: MMs03135053
Type: Neutral
Formula: C23H26N2O6
SMILES:   O1C2OC(OC2C(NC(=O)c2ccccc2)C1C(O)CNC(=O)c1ccccc1)(C)C
InChI:   InChI=1/C23H26N2O6/c1-23(2)30-19-17(25-21(28)15-11-7-4-8-12-15)18(29-22(19)31-23)16(26)13-24-20(27)14-9-5-3-6-10-14/h3-12,16-19,22,26H,13H2,1-2H3,(H,24,27)(H,25,28)/t16-,17+,18+,19-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.469 g/mol  logS: -4.58565  SlogP: 1.4523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710054  Sterimol/B1: 2.41355  Sterimol/B2: 3.35065  Sterimol/B3: 4.69267
  Sterimol/B4: 12.3613  Sterimol/L: 18.367 
 
 Surface and Volume Properties
  Accessible surface: 721.318  Positive charged surface: 423.161  Negative charged surface: 298.157  Volume: 402.375
  Hydrophobic surface: 558.056  Hydrophilic surface: 163.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.