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ACROSORGANICS-ZINC04261886

 MMsINC code: MMs00016978
Type: Neutral
Formula: C14H24N2O8
SMILES:   OC(=O)CN(CCCCCCN(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)

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Potential Energy
Epot(MMFF94)=91.9091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.352 g/mol  logS: -0.17676  SlogP: -0.5108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911449  Sterimol/B1: 3.93423  Sterimol/B2: 3.94588  Sterimol/B3: 4.40038
  Sterimol/B4: 4.86469  Sterimol/L: 16.4324 
 
 Surface and Volume Properties
  Accessible surface: 623.897  Positive charged surface: 430.346  Negative charged surface: 193.551  Volume: 312.125
  Hydrophobic surface: 258.266  Hydrophilic surface: 365.631
 
 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


MMs00016979
ACROSORGANICS-ZINC04261886