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PUBCHEM-ZINC06208746

 MMsINC code: MMs03616028
Type: Neutral
Formula: C10H16N4O3
SMILES:   OC=1N(C)C(=O)NC(=O)C=1\C=N\CCN(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)/b11-6+

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Potential Energy
Epot(MMFF94)=19.5079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.263 g/mol  logS: -0.30515  SlogP: -0.43  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544179  Sterimol/B1: 2.79585  Sterimol/B2: 3.38842  Sterimol/B3: 3.57459
  Sterimol/B4: 5.30863  Sterimol/L: 14.9414 
 
 Surface and Volume Properties
  Accessible surface: 468.92  Positive charged surface: 391.522  Negative charged surface: 77.3986  Volume: 225.5
  Hydrophobic surface: 302.379  Hydrophilic surface: 166.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules


MMs03616029
PUBCHEM-ZINC06208746