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ANALYTICONDISCOVERY-ZINC04222736

 MMsINC code: MMs00031241
Type: Neutral
Formula: C11H18N2O6
SMILES:   O1C2C(OCC2OCC(=O)N)C(NC(=O)COC)C1
InChI:   InChI=1/C11H18N2O6/c1-16-5-9(15)13-6-2-18-11-7(3-19-10(6)11)17-4-8(12)14/h6-7,10-11H,2-5H2,1H3,(H2,12,14)(H,13,15)/t6-,7+,10+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=99.3012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.273 g/mol  logS: -0.90991  SlogP: -2.2143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379512  Sterimol/B1: 3.25873  Sterimol/B2: 3.34761  Sterimol/B3: 3.50922
  Sterimol/B4: 3.97133  Sterimol/L: 18.4307 
 
 Surface and Volume Properties
  Accessible surface: 519.022  Positive charged surface: 418.147  Negative charged surface: 100.876  Volume: 245.75
  Hydrophobic surface: 314.836  Hydrophilic surface: 204.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.