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ACROSORGANICS-ZINC04261886

 MMsINC code: MMs00016979
Type: Ionized
Formula: C14H22N2O8-2
SMILES:   O=C([O-])C[NH+](CCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChI:   InChI=1/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-2

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Potential Energy
Epot(MMFF94)=70.9256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.336 g/mol  logS: -1.16978  SlogP: -8.6838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0810579  Sterimol/B1: 3.84448  Sterimol/B2: 4.38035  Sterimol/B3: 4.46165
  Sterimol/B4: 5.43961  Sterimol/L: 16.4977 
 
 Surface and Volume Properties
  Accessible surface: 609.316  Positive charged surface: 341.083  Negative charged surface: 268.233  Volume: 314.125
  Hydrophobic surface: 245.048  Hydrophilic surface: 364.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 8  Basic groups: 2
  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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Parent related molecule:


MMs00016978
ACROSORGANICS-ZINC04261886