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NCID-ZINC05834893

 MMsINC code: MMs02504399
Type: Neutral
Formula: C10H15NO5
SMILES:   O1C2C(OC)C(NC(OCC)=O)C1CC2=O
InChI:   InChI=1/C10H15NO5/c1-3-15-10(13)11-7-6-4-5(12)8(16-6)9(7)14-2/h6-9H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=50.0836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.232 g/mol  logS: -0.96337  SlogP: -0.1437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122429  Sterimol/B1: 3.49423  Sterimol/B2: 4.11287  Sterimol/B3: 4.16732
  Sterimol/B4: 4.95514  Sterimol/L: 13.0608 
 
 Surface and Volume Properties
  Accessible surface: 441.432  Positive charged surface: 327.172  Negative charged surface: 114.26  Volume: 207.75
  Hydrophobic surface: 294.137  Hydrophilic surface: 147.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.