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NCID-ZINC05082012

 MMsINC code: MMs02437896
Type: Neutral
Formula: C10H17NO5
SMILES:   O1C2OC(OC2C(NC(=O)C)C1CO)(C)C
InChI:   InChI=1/C10H17NO5/c1-5(13)11-7-6(4-12)14-9-8(7)15-10(2,3)16-9/h6-9,12H,4H2,1-3H3,(H,11,13)/t6-,7-,8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=70.2812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.88464  SlogP: -0.6402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130495  Sterimol/B1: 2.13374  Sterimol/B2: 3.05398  Sterimol/B3: 3.13301
  Sterimol/B4: 8.24939  Sterimol/L: 11.0719 
 
 Surface and Volume Properties
  Accessible surface: 436.388  Positive charged surface: 298.288  Negative charged surface: 138.1  Volume: 211.375
  Hydrophobic surface: 258.522  Hydrophilic surface: 177.866
 
 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.