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PUBCHEM-ZINC04764816

 MMsINC code: MMs03168238
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C1N(CCC1)C(OCc1ccccc1)=O)C
InChI:   InChI=1/C23H26N2O5/c1-17(22(27)29-15-18-9-4-2-5-10-18)24-21(26)20-13-8-14-25(20)23(28)30-16-19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3,(H,24,26)/t17-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -4.73007  SlogP: 3.5685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416507  Sterimol/B1: 2.53636  Sterimol/B2: 3.46111  Sterimol/B3: 5.26015
  Sterimol/B4: 6.99654  Sterimol/L: 22.5392 
 
 Surface and Volume Properties
  Accessible surface: 755.925  Positive charged surface: 482.982  Negative charged surface: 272.942  Volume: 400.375
  Hydrophobic surface: 640.458  Hydrophilic surface: 115.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.