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ACROSORGANICS-ZINC01532604

 MMsINC code: MMs00009047
Type: Neutral
Formula: C10H16N2O8
SMILES:   OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
InChI:   InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=99.7546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.244 g/mol  logS: 0.63032  SlogP: -2.0712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.286233  Sterimol/B1: 3.57971  Sterimol/B2: 3.99407  Sterimol/B3: 4.45302
  Sterimol/B4: 4.81315  Sterimol/L: 11.9587 
 
 Surface and Volume Properties
  Accessible surface: 502.311  Positive charged surface: 321.59  Negative charged surface: 180.721  Volume: 242.125
  Hydrophobic surface: 137.827  Hydrophilic surface: 364.484
 
 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


MMs00009048
ACROSORGANICS-ZINC01532604