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PUBCHEM-ZINC05574459

 MMsINC code: MMs03311167
Type: Neutral
Formula: C11H17NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)C
InChI:   InChI=1/C11H17NO5/c1-4-16-9(14)11(10(15)17-5-2)7(3)6-8(13)12-11/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=46.9838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.259 g/mol  logS: -1.66817  SlogP: 0.0074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164456  Sterimol/B1: 2.28541  Sterimol/B2: 4.00815  Sterimol/B3: 4.02594
  Sterimol/B4: 7.22498  Sterimol/L: 12.9721 
 
 Surface and Volume Properties
  Accessible surface: 474.161  Positive charged surface: 316.82  Negative charged surface: 157.34  Volume: 228.375
  Hydrophobic surface: 296.178  Hydrophilic surface: 177.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.