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NCID-ZINC01769289

 MMsINC code: MMs02370791
Type: Neutral
Formula: C11H18N2O8
SMILES:   OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O
InChI:   InChI=1/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=88.2879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.271 g/mol  logS: 0.42855  SlogP: -1.6811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207724  Sterimol/B1: 3.77006  Sterimol/B2: 4.2448  Sterimol/B3: 4.2514
  Sterimol/B4: 4.61764  Sterimol/L: 13.1602 
 
 Surface and Volume Properties
  Accessible surface: 532.344  Positive charged surface: 348.651  Negative charged surface: 183.693  Volume: 261.875
  Hydrophobic surface: 167.831  Hydrophilic surface: 364.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  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: 0
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Ions/Tautomers related molecules


MMs02370792
NCID-ZINC01769289