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PUBCHEM-ZINC05113400

 MMsINC code: MMs03201660
Type: Neutral
Formula: C10H19N3O6
SMILES:   OC(=O)CN(CCNCC(O)=O)CCNCC(O)=O
InChI:   InChI=1/C10H19N3O6/c14-8(15)5-11-1-3-13(7-10(18)19)4-2-12-6-9(16)17/h11-12H,1-7H2,(H,14,15)(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=70.0562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.277 g/mol  logS: 0.99017  SlogP: -2.2786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499978  Sterimol/B1: 2.79399  Sterimol/B2: 3.30395  Sterimol/B3: 4.63916
  Sterimol/B4: 6.62415  Sterimol/L: 16.8651 
 
 Surface and Volume Properties
  Accessible surface: 536.049  Positive charged surface: 377.204  Negative charged surface: 158.845  Volume: 249.125
  Hydrophobic surface: 202.928  Hydrophilic surface: 333.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  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


MMs03201661
PUBCHEM-ZINC05113400