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NCID-ZINC01714306

 MMsINC code: MMs02340552
Type: Neutral
Formula: C8H15NO4
SMILES:   O(C(=O)C(NC(=O)C)C(O)C)CC
InChI:   InChI=1/C8H15NO4/c1-4-13-8(12)7(5(2)10)9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)/t5-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=38.2143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.211 g/mol  logS: -0.63052  SlogP: -0.565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06243  Sterimol/B1: 2.85603  Sterimol/B2: 3.10949  Sterimol/B3: 3.2794
  Sterimol/B4: 5.09647  Sterimol/L: 13.1754 
 
 Surface and Volume Properties
  Accessible surface: 396.974  Positive charged surface: 268.801  Negative charged surface: 128.173  Volume: 181.875
  Hydrophobic surface: 251.267  Hydrophilic surface: 145.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.