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NCID-ZINC01857358

 MMsINC code: MMs02372486
Type: Neutral
Formula: C10H17NO6
SMILES:   OC(=O)CCC(N)(CCC(O)=O)CCC(O)=O
InChI:   InChI=1/C10H17NO6/c11-10(4-1-7(12)13,5-2-8(14)15)6-3-9(16)17/h1-6,11H2,(H,12,13)(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=9.88376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.247 g/mol  logS: 0.47951  SlogP: 0.2783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15421  Sterimol/B1: 3.10904  Sterimol/B2: 3.79872  Sterimol/B3: 4.64054
  Sterimol/B4: 5.61  Sterimol/L: 14.0246 
 
 Surface and Volume Properties
  Accessible surface: 448.131  Positive charged surface: 277.036  Negative charged surface: 171.095  Volume: 220.625
  Hydrophobic surface: 117.509  Hydrophilic surface: 330.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02372487
NCID-ZINC01857358