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ANALYTICONDISCOVERY-ZINC04222739

 MMsINC code: MMs00031244
Type: Neutral
Formula: C10H16N2O5
SMILES:   O1C2C(OCC2OCC(=O)N)C(NC(=O)C)C1
InChI:   InChI=1/C10H16N2O5/c1-5(13)12-6-2-16-10-7(3-17-9(6)10)15-4-8(11)14/h6-7,9-10H,2-4H2,1H3,(H2,11,14)(H,12,13)/t6-,7+,9+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=78.2372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.247 g/mol  logS: -0.77463  SlogP: -1.8408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553493  Sterimol/B1: 2.92702  Sterimol/B2: 3.58931  Sterimol/B3: 3.68649
  Sterimol/B4: 3.83382  Sterimol/L: 16.1505 
 
 Surface and Volume Properties
  Accessible surface: 468.434  Positive charged surface: 349.998  Negative charged surface: 118.436  Volume: 217.5
  Hydrophobic surface: 271.438  Hydrophilic surface: 196.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.