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PUBCHEM-ZINC06208746

 MMsINC code: MMs03616029
Type: Ionized
Formula: C10H17N4O3+
SMILES:   OC=1N(C)C(=O)NC(=O)C=1\C=N\CC[NH+](C)C
InChI:   InChI=1/C10H16N4O3/c1-13(2)5-4-11-6-7-8(15)12-10(17)14(3)9(7)16/h6,16H,4-5H2,1-3H3,(H,12,15,17)/p+1/b11-6+

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Potential Energy
Epot(MMFF94)=1.0975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.271 g/mol  logS: -0.28076  SlogP: -1.8471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291326  Sterimol/B1: 2.73305  Sterimol/B2: 2.94693  Sterimol/B3: 3.32937
  Sterimol/B4: 5.35086  Sterimol/L: 15.5963 
 
 Surface and Volume Properties
  Accessible surface: 475.837  Positive charged surface: 397.14  Negative charged surface: 78.6973  Volume: 230.375
  Hydrophobic surface: 252.97  Hydrophilic surface: 222.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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: 1
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Parent related molecule:


MMs03616028
PUBCHEM-ZINC06208746