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PUBCHEM-ZINC04203045

 MMsINC code: MMs03099341
Type: Neutral
Formula: C10H17NO4
SMILES:   O(C(=O)C1CC(NC1)C(OCC)=O)CC
InChI:   InChI=1/C10H17NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=32.0656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.93533  SlogP: 0.0907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375825  Sterimol/B1: 2.86608  Sterimol/B2: 3.21067  Sterimol/B3: 3.25967
  Sterimol/B4: 4.43663  Sterimol/L: 16.1453 
 
 Surface and Volume Properties
  Accessible surface: 466.503  Positive charged surface: 349.122  Negative charged surface: 117.381  Volume: 211.125
  Hydrophobic surface: 326.28  Hydrophilic surface: 140.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.