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NCID-ZINC01669836

 MMsINC code: MMs02305917
Type: Neutral
Formula: C10H15NO6
SMILES:   OC(=O)C(NC(=O)C)(CC(C(=O)C)C)C(O)=O
InChI:   InChI=1/C10H15NO6/c1-5(6(2)12)4-10(8(14)15,9(16)17)11-7(3)13/h5H,4H2,1-3H3,(H,11,13)(H,14,15)(H,16,17)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=57.9262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.231 g/mol  logS: -0.38632  SlogP: -0.3543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194582  Sterimol/B1: 2.50373  Sterimol/B2: 2.56589  Sterimol/B3: 4.97774
  Sterimol/B4: 6.03815  Sterimol/L: 12.3107 
 
 Surface and Volume Properties
  Accessible surface: 425.457  Positive charged surface: 267.799  Negative charged surface: 157.657  Volume: 214.125
  Hydrophobic surface: 231.647  Hydrophilic surface: 193.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs02305918
NCID-ZINC01669836