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PUBCHEM-ZINC05796038

 MMsINC code: MMs03389886
Type: Neutral
Formula: C15H21NO5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)CC(OCC)=O
InChI:   InChI=1/C15H21NO5/c1-4-21-15(18)10-14(17)16-8-7-11-5-6-12(19-2)13(9-11)20-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.335 g/mol  logS: -2.31054  SlogP: 1.31567  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0415553  Sterimol/B1: 2.77466  Sterimol/B2: 3.91137  Sterimol/B3: 4.08786
  Sterimol/B4: 5.57697  Sterimol/L: 19.9364 
 
 Surface and Volume Properties
  Accessible surface: 584.843  Positive charged surface: 451.075  Negative charged surface: 133.768  Volume: 288.125
  Hydrophobic surface: 463.218  Hydrophilic surface: 121.625
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.