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NCID-ZINC01575486

 MMsINC code: MMs02234320
Type: Neutral
Formula: C18H26N2O5
SMILES:   O(C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C)CC
InChI:   InChI=1/C18H26N2O5/c1-5-24-17(22)13(4)19-16(21)15(12(2)3)20-18(23)25-11-14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,21)(H,20,23)/t13-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.415 g/mol  logS: -3.57374  SlogP: 2.2716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524836  Sterimol/B1: 3.28985  Sterimol/B2: 3.504  Sterimol/B3: 4.10771
  Sterimol/B4: 7.12584  Sterimol/L: 21.0529 
 
 Surface and Volume Properties
  Accessible surface: 660.723  Positive charged surface: 426.351  Negative charged surface: 234.372  Volume: 346.125
  Hydrophobic surface: 471.505  Hydrophilic surface: 189.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.