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PUBCHEM-ZINC05663194

 MMsINC code: MMs03339429
Type: Neutral
Formula: C10H16N2O6
SMILES:   OC(=O)CC(NC(=O)C)C(=O)NCCCC(O)=O
InChI:   InChI=1/C10H16N2O6/c1-6(13)12-7(5-9(16)17)10(18)11-4-2-3-8(14)15/h7H,2-5H2,1H3,(H,11,18)(H,12,13)(H,14,15)(H,16,17)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=19.7824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.246 g/mol  logS: 0.09967  SlogP: -1.0532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436069  Sterimol/B1: 2.21304  Sterimol/B2: 3.01831  Sterimol/B3: 3.07431
  Sterimol/B4: 7.30589  Sterimol/L: 15.7312 
 
 Surface and Volume Properties
  Accessible surface: 492.148  Positive charged surface: 327.403  Negative charged surface: 164.746  Volume: 229.75
  Hydrophobic surface: 232.707  Hydrophilic surface: 259.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs03339430
PUBCHEM-ZINC05663194