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PUBCHEM-ZINC06073444

 MMsINC code: MMs03526186
Type: Neutral
Formula: C10H13N5O4
SMILES:   OC=1NC(=O)NC(=O)C=1N=NC(=O)CN1CCCC1
InChI:   InChI=1/C10H13N5O4/c16-6(5-15-3-1-2-4-15)13-14-7-8(17)11-10(19)12-9(7)18/h1-5H2,(H3,11,12,17,18,19)/b14-13+

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Potential Energy
Epot(MMFF94)=41.8852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.245 g/mol  logS: -1.31889  SlogP: -0.3725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279849  Sterimol/B1: 2.54584  Sterimol/B2: 3.44623  Sterimol/B3: 3.63337
  Sterimol/B4: 4.91842  Sterimol/L: 15.9764 
 
 Surface and Volume Properties
  Accessible surface: 474.948  Positive charged surface: 332.009  Negative charged surface: 142.938  Volume: 227
  Hydrophobic surface: 240.045  Hydrophilic surface: 234.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs03526187
PUBCHEM-ZINC06073444