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PUBCHEM-ZINC05837462

 MMsINC code: MMs03408784
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-/m1/s1

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Potential Energy
Epot(MMFF94)=58.677 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: 0.0221584  Sterimol/B1: 2.02749  Sterimol/B2: 2.3408  Sterimol/B3: 3.93745
  Sterimol/B4: 6.51453  Sterimol/L: 16.7213 
 
 Surface and Volume Properties
  Accessible surface: 490.096  Positive charged surface: 336.585  Negative charged surface: 153.511  Volume: 226.875
  Hydrophobic surface: 136.219  Hydrophilic surface: 353.877
 
 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


MMs03408785
PUBCHEM-ZINC05837462