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NCID-ZINC01574414

 MMsINC code: MMs02233601
Type: Neutral
Formula: C10H15NO5
SMILES:   O=C1CC(N(C1)C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C10H15NO5/c1-3-15-9(13)8-5-7(12)6-11(8)10(14)16-4-2/h8H,3-6H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=24.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.232 g/mol  logS: -1.15864  SlogP: 0.3494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525708  Sterimol/B1: 2.49147  Sterimol/B2: 3.06667  Sterimol/B3: 3.21041
  Sterimol/B4: 7.3482  Sterimol/L: 14.1602 
 
 Surface and Volume Properties
  Accessible surface: 465.007  Positive charged surface: 330.49  Negative charged surface: 134.517  Volume: 212.375
  Hydrophobic surface: 304.567  Hydrophilic surface: 160.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.