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IFLAB-ZINC02684804

 MMsINC code: MMs01993052
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1NCCN(C1)C(=O)CCC(OCC)=O
InChI:   InChI=1/C10H16N2O4/c1-2-16-10(15)4-3-9(14)12-6-5-11-8(13)7-12/h2-7H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=35.8058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.47775  SlogP: -0.7119  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0388988  Sterimol/B1: 2.81038  Sterimol/B2: 3.42901  Sterimol/B3: 3.5252
  Sterimol/B4: 4.74775  Sterimol/L: 15.4493 
 
 Surface and Volume Properties
  Accessible surface: 465.482  Positive charged surface: 348.067  Negative charged surface: 117.415  Volume: 214.625
  Hydrophobic surface: 287.076  Hydrophilic surface: 178.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.