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PUBCHEM-ZINC05856273

 MMsINC code: MMs03419818
Type: Neutral
Formula: C10H20N6O4
SMILES:   O=C(NN)C(NC(=O)C)CCC(NC(=O)C)C(=O)NN
InChI:   InChI=1/C10H20N6O4/c1-5(17)13-7(9(19)15-11)3-4-8(10(20)16-12)14-6(2)18/h7-8H,3-4,11-12H2,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8+

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Potential Energy
Epot(MMFF94)=102.676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.308 g/mol  logS: -0.87092  SlogP: -3.2442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063819  Sterimol/B1: 3.15118  Sterimol/B2: 3.31933  Sterimol/B3: 3.35876
  Sterimol/B4: 8.78644  Sterimol/L: 12.7514 
 
 Surface and Volume Properties
  Accessible surface: 548.49  Positive charged surface: 350.199  Negative charged surface: 198.292  Volume: 261.625
  Hydrophobic surface: 220.014  Hydrophilic surface: 328.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.