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PUBCHEM-ZINC03872093

 MMsINC code: MMs03080965
Type: Neutral
Formula: C10H15NO4
SMILES:   O1C2C(NC(=O)C2C)(C(O)C(C)C)C1=O
InChI:   InChI=1/C10H15NO4/c1-4(2)6(12)10-7(15-9(10)14)5(3)8(13)11-10/h4-7,12H,1-3H3,(H,11,13)/t5-,6+,7-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=140.5 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.233 g/mol  logS: -1.08086  SlogP: -0.5666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174047  Sterimol/B1: 2.56501  Sterimol/B2: 3.51578  Sterimol/B3: 4.29262
  Sterimol/B4: 5.26322  Sterimol/L: 10.8901 
 
 Surface and Volume Properties
  Accessible surface: 384.492  Positive charged surface: 222.84  Negative charged surface: 148.72  Volume: 191.25
  Hydrophobic surface: 178.475  Hydrophilic surface: 206.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.