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NCID-ZINC05501725

 MMsINC code: MMs02468852
Type: Neutral
Formula: C15H26N2O8
SMILES:   OC(=O)CCN(CCCN(CCC(O)=O)CCC(O)=O)CCC(O)=O
InChI:   InChI=1/C15H26N2O8/c18-12(19)2-8-16(9-3-13(20)21)6-1-7-17(10-4-14(22)23)11-5-15(24)25/h1-11H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)

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Potential Energy
Epot(MMFF94)=4.87423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.379 g/mol  logS: 0.90087  SlogP: -0.1207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24446  Sterimol/B1: 4.32055  Sterimol/B2: 5.0685  Sterimol/B3: 5.14456
  Sterimol/B4: 5.61894  Sterimol/L: 15.1014 
 
 Surface and Volume Properties
  Accessible surface: 659.26  Positive charged surface: 439.626  Negative charged surface: 219.634  Volume: 331.125
  Hydrophobic surface: 263.602  Hydrophilic surface: 395.658
 
 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


MMs02468853
NCID-ZINC05501725