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PUBCHEM-ZINC02167629

 MMsINC code: MMs02879275
Type: Neutral
Formula: C12H21NO6
SMILES:   O(C(=O)CCN(CC(OCC)=O)C(OCC)=O)CC
InChI:   InChI=1/C12H21NO6/c1-4-17-10(14)7-8-13(12(16)19-6-3)9-11(15)18-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.4189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.301 g/mol  logS: -1.41383  SlogP: 0.9612  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.056306  Sterimol/B1: 2.20831  Sterimol/B2: 3.05231  Sterimol/B3: 3.55719
  Sterimol/B4: 9.76212  Sterimol/L: 16.6937 
 
 Surface and Volume Properties
  Accessible surface: 575.074  Positive charged surface: 424.676  Negative charged surface: 150.398  Volume: 266.125
  Hydrophobic surface: 397.615  Hydrophilic surface: 177.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.