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PUBCHEM-ZINC05838648

MMsINC code: MMs03409450

Type: Neutral
Formula: C10H10N6O4
SMILES:   OC(=O)CNC(=O)CNC(=O)C1=NC=NC2=NC=NC12
InChI:   InChI=1/C10H10N6O4/c17-5(11-2-6(18)19)1-12-10(20)8-7-9(15-3-13-7)16-4-14-8/h3-4,7H,1-2H2,(H,11,17)(H,12,20)(H,18,19)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=58.5997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.228 g/mol  logS: -1.89412  SlogP: -2.4047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221941  Sterimol/B1: 2.03311  Sterimol/B2: 2.33919  Sterimol/B3: 3.93776
  Sterimol/B4: 6.51419  Sterimol/L: 16.722 
 
 Surface and Volume Properties
  Accessible surface: 488.497  Positive charged surface: 335.099  Negative charged surface: 153.398  Volume: 226.875
  Hydrophobic surface: 136.05  Hydrophilic surface: 352.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03409451
PUBCHEM-ZINC05838648