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NCID-ZINC01579873

 MMsINC code: MMs02237599
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-/m0/s1

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Potential Energy
Epot(MMFF94)=19.8453 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: 0.043597  Sterimol/B1: 2.21289  Sterimol/B2: 3.0181  Sterimol/B3: 3.07418
  Sterimol/B4: 7.30514  Sterimol/L: 15.7318 
 
 Surface and Volume Properties
  Accessible surface: 491.698  Positive charged surface: 325.583  Negative charged surface: 166.115  Volume: 230
  Hydrophobic surface: 231.469  Hydrophilic surface: 260.229
 
 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


MMs02237600
NCID-ZINC01579873