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PUBCHEM-ZINC06260404

 MMsINC code: MMs03644887
Type: Neutral
Formula: C19H30N2O5
SMILES:   O(Cc1ccccc1)C(C(NC(OC(C)(C)C)=O)C(=O)NCCOC)C
InChI:   InChI=1/C19H30N2O5/c1-14(25-13-15-9-7-6-8-10-15)16(17(22)20-11-12-24-5)21-18(23)26-19(2,3)4/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t14-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -3.37452  SlogP: 2.514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181694  Sterimol/B1: 2.1513  Sterimol/B2: 5.33298  Sterimol/B3: 7.17002
  Sterimol/B4: 9.78552  Sterimol/L: 15.1734 
 
 Surface and Volume Properties
  Accessible surface: 700.511  Positive charged surface: 499.892  Negative charged surface: 200.619  Volume: 372.5
  Hydrophobic surface: 557.895  Hydrophilic surface: 142.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.