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PUBCHEM-ZINC06075205

 MMsINC code: MMs03527948
Type: Neutral
Formula: C26H35N3O6
SMILES:   O(C)c1ccc(NC(=O)C(NC(OCc2ccccc2)=O)CCCCNC(OC(C)(C)C)=O)cc1
InChI:   InChI=1/C26H35N3O6/c1-26(2,3)35-24(31)27-17-9-8-12-22(23(30)28-20-13-15-21(33-4)16-14-20)29-25(32)34-18-19-10-6-5-7-11-19/h5-7,10-11,13-16,22H,8-9,12,17-18H2,1-4H3,(H,27,31)(H,28,30)(H,29,32)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.6755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.581 g/mol  logS: -5.49097  SlogP: 4.8901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354647  Sterimol/B1: 2.24352  Sterimol/B2: 5.1353  Sterimol/B3: 6.11379
  Sterimol/B4: 12.2283  Sterimol/L: 22.7137 
 
 Surface and Volume Properties
  Accessible surface: 895.159  Positive charged surface: 605.284  Negative charged surface: 289.875  Volume: 479.125
  Hydrophobic surface: 698.356  Hydrophilic surface: 196.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.