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NCID-ZINC04722310

 MMsINC code: MMs02397546
Type: Ionized
Formula: C10H16N4O6-2
SMILES:   O=C([O-])CN(N=O)CCCCCCN(N=O)CC(=O)[O-]
InChI:   InChI=1/C10H18N4O6/c15-9(16)7-13(11-19)5-3-1-2-4-6-14(12-20)8-10(17)18/h1-8H2,(H,15,16)(H,17,18)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.26 g/mol  logS: -1.31078  SlogP: -1.9866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034378  Sterimol/B1: 3.03436  Sterimol/B2: 3.12384  Sterimol/B3: 3.85109
  Sterimol/B4: 4.59878  Sterimol/L: 17.5619 
 
 Surface and Volume Properties
  Accessible surface: 522.146  Positive charged surface: 266.266  Negative charged surface: 255.88  Volume: 247.125
  Hydrophobic surface: 355.348  Hydrophilic surface: 166.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 4  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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MMs02397545
NCID-ZINC04722310