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ACROSORGANICS-ZINC03861663

 MMsINC code: MMs00016045
Type: Neutral
Formula: C14H24N2O10
SMILES:   O(CCN(CC(O)=O)CC(O)=O)CCOCCN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(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)=153.67 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.35 g/mol  logS: 0.34504  SlogP: -2.038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119326  Sterimol/B1: 2.54199  Sterimol/B2: 3.9302  Sterimol/B3: 4.87086
  Sterimol/B4: 5.66816  Sterimol/L: 18.5538 
 
 Surface and Volume Properties
  Accessible surface: 612.561  Positive charged surface: 452.907  Negative charged surface: 159.654  Volume: 330.5
  Hydrophobic surface: 289.595  Hydrophilic surface: 322.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 12  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00016046
ACROSORGANICS-ZINC03861663