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NCID-ZINC01624578

 MMsINC code: MMs02271573
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCN(CC1)CCCNC(=O)C(OCC)=O
InChI:   InChI=1/C11H20N2O4/c1-2-17-11(15)10(14)12-4-3-5-13-6-8-16-9-7-13/h2-9H2,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=57.8919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -0.88963  SlogP: -0.612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250448  Sterimol/B1: 3.04467  Sterimol/B2: 3.23281  Sterimol/B3: 3.3299
  Sterimol/B4: 4.1875  Sterimol/L: 18.1175 
 
 Surface and Volume Properties
  Accessible surface: 509.186  Positive charged surface: 408.116  Negative charged surface: 101.07  Volume: 237.25
  Hydrophobic surface: 368.902  Hydrophilic surface: 140.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02271574
NCID-ZINC01624578