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NCID-ZINC05566564

 MMsINC code: MMs02475495
Type: Neutral
Formula: C10H15NO6
SMILES:   O1COC(CO)C(O)C1C1CC(=O)NC(=O)C1
InChI:   InChI=1/C10H15NO6/c12-3-6-9(15)10(17-4-16-6)5-1-7(13)11-8(14)2-5/h5-6,9-10,12,15H,1-4H2,(H,11,13,14)/t6-,9+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.0155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.231 g/mol  logS: 0.12603  SlogP: -1.8661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198243  Sterimol/B1: 3.50259  Sterimol/B2: 3.64116  Sterimol/B3: 3.82557
  Sterimol/B4: 5.73738  Sterimol/L: 11.831 
 
 Surface and Volume Properties
  Accessible surface: 415.656  Positive charged surface: 275.104  Negative charged surface: 140.552  Volume: 207.375
  Hydrophobic surface: 156.693  Hydrophilic surface: 258.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.