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NCID-ZINC01615551

 MMsINC code: MMs02265176
Type: Neutral
Formula: C10H10N4O6S
SMILES:   S(=O)(=O)(CC1=CNC(=O)NC1=O)CC1=CNC(=O)NC1=O
InChI:   InChI=1/C10H10N4O6S/c15-7-5(1-11-9(17)13-7)3-21(19,20)4-6-2-12-10(18)14-8(6)16/h1-2H,3-4H2,(H2,11,13,15,17)(H2,12,14,16,18)

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Potential Energy
Epot(MMFF94)=-26.9948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.278 g/mol  logS: -1.36591  SlogP: -2.1522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822046  Sterimol/B1: 2.88746  Sterimol/B2: 3.00365  Sterimol/B3: 3.70349
  Sterimol/B4: 5.06683  Sterimol/L: 15.5933 
 
 Surface and Volume Properties
  Accessible surface: 467.842  Positive charged surface: 259.567  Negative charged surface: 208.275  Volume: 237.75
  Hydrophobic surface: 136.499  Hydrophilic surface: 331.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.