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NCID-ZINC01676653

 MMsINC code: MMs02311785
Type: Neutral
Formula: C11H18N2O5
SMILES:   O(C(=O)C(NC(=O)N1CC1)CC(OCC)=O)CC
InChI:   InChI=1/C11H18N2O5/c1-3-17-9(14)7-8(10(15)18-4-2)12-11(16)13-5-6-13/h8H,3-7H2,1-2H3,(H,12,16)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -0.99986  SlogP: -0.1035  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0707695  Sterimol/B1: 2.45575  Sterimol/B2: 3.02268  Sterimol/B3: 3.63245
  Sterimol/B4: 10.1284  Sterimol/L: 14.5106 
 
 Surface and Volume Properties
  Accessible surface: 541.56  Positive charged surface: 374.103  Negative charged surface: 167.458  Volume: 246
  Hydrophobic surface: 391.282  Hydrophilic surface: 150.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.