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NCID-ZINC05431220

 MMsINC code: MMs02460966
Type: Neutral
Formula: C10H15NO5
SMILES:   O1C(=CC(NC(=O)C)CC1OC)C(OC)=O
InChI:   InChI=1/C10H15NO5/c1-6(12)11-7-4-8(10(13)15-3)16-9(5-7)14-2/h4,7,9H,5H2,1-3H3,(H,11,12)/t7-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=20.3532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.232 g/mol  logS: -1.14485  SlogP: -0.0592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147025  Sterimol/B1: 2.4203  Sterimol/B2: 3.19571  Sterimol/B3: 5.02141
  Sterimol/B4: 7.23262  Sterimol/L: 13.0501 
 
 Surface and Volume Properties
  Accessible surface: 456.606  Positive charged surface: 347.231  Negative charged surface: 109.375  Volume: 214
  Hydrophobic surface: 344.867  Hydrophilic surface: 111.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.