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ACROSORGANICS-ZINC01683095

 MMsINC code: MMs00010817
Type: Neutral
Formula: C10H18N2O7
SMILES:   OC(=O)CN(CCN(CC(O)=O)CCO)CC(O)=O
InChI:   InChI=1/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=95.4489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.261 g/mol  logS: 0.8287  SlogP: -2.1635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095238  Sterimol/B1: 2.70358  Sterimol/B2: 3.79235  Sterimol/B3: 4.91602
  Sterimol/B4: 5.76481  Sterimol/L: 11.6523 
 
 Surface and Volume Properties
  Accessible surface: 504.973  Positive charged surface: 353.026  Negative charged surface: 151.947  Volume: 242.75
  Hydrophobic surface: 182.478  Hydrophilic surface: 322.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  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


MMs00010818
ACROSORGANICS-ZINC01683095