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PUBCHEM-ZINC05761062

 MMsINC code: MMs03374294
Type: Neutral
Formula: C11H20N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C)C(C)C)C)C
InChI:   InChI=1/C11H20N2O4/c1-6(2)9(13-8(4)14)10(15)12-7(3)11(16)17-5/h6-7,9H,1-5H3,(H,12,15)(H,13,14)/t7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=49.3307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -1.40917  SlogP: -0.1752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826611  Sterimol/B1: 2.55438  Sterimol/B2: 2.7473  Sterimol/B3: 4.29006
  Sterimol/B4: 6.32732  Sterimol/L: 15.2764 
 
 Surface and Volume Properties
  Accessible surface: 490.17  Positive charged surface: 346.004  Negative charged surface: 144.167  Volume: 240.5
  Hydrophobic surface: 334.046  Hydrophilic surface: 156.124
 
 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.