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CHEMBRIDGE-ZINC01751907

 MMsINC code: MMs00695519
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(CC)C(=O)NCC(CNC(OCC)=O)(C)C
InChI:   InChI=1/C11H22N2O4/c1-5-16-9(14)12-7-11(3,4)8-13-10(15)17-6-2/h5-8H2,1-4H3,(H,12,14)(H,13,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.4461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.34905  SlogP: 1.5048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351364  Sterimol/B1: 2.45829  Sterimol/B2: 3.62335  Sterimol/B3: 3.6249
  Sterimol/B4: 4.09746  Sterimol/L: 19.2528 
 
 Surface and Volume Properties
  Accessible surface: 528.908  Positive charged surface: 388.875  Negative charged surface: 140.033  Volume: 249.875
  Hydrophobic surface: 341.587  Hydrophilic surface: 187.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.