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PUBCHEM-ZINC03872090

 MMsINC code: MMs03080962
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+/m1/s1

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Potential Energy
Epot(MMFF94)=53.1906 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: 0.161084  Sterimol/B1: 3.13815  Sterimol/B2: 3.37606  Sterimol/B3: 4.31309
  Sterimol/B4: 5.08198  Sterimol/L: 11.7683 
 
 Surface and Volume Properties
  Accessible surface: 389.662  Positive charged surface: 227.415  Negative charged surface: 150.628  Volume: 194.875
  Hydrophobic surface: 184.307  Hydrophilic surface: 205.355
 
 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.