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PUBCHEM-ZINC02746915

 MMsINC code: MMs02915655
Type: Neutral
Formula: C15H18N2O4
SMILES:   o1c(ccc1C)C(=O)NC(CNC(=O)c1oc(cc1)C)C
InChI:   InChI=1/C15H18N2O4/c1-9(17-15(19)13-7-5-11(3)21-13)8-16-14(18)12-6-4-10(2)20-12/h4-7,9H,8H2,1-3H3,(H,16,18)(H,17,19)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -3.92861  SlogP: 2.03774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117608  Sterimol/B1: 2.51555  Sterimol/B2: 2.58346  Sterimol/B3: 5.30462
  Sterimol/B4: 9.2452  Sterimol/L: 13.9149 
 
 Surface and Volume Properties
  Accessible surface: 578.99  Positive charged surface: 348.518  Negative charged surface: 230.472  Volume: 279
  Hydrophobic surface: 461.157  Hydrophilic surface: 117.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.