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PUBCHEM-ZINC02526381

 MMsINC code: MMs02893708
Type: Neutral
Formula: C10H12N4O3S
SMILES:   S(C)C=1NC(=O)c2nc(cnc2N=1)C(O)C(O)C
InChI:   InChI=1/C10H12N4O3S/c1-4(15)7(16)5-3-11-8-6(12-5)9(17)14-10(13-8)18-2/h3-4,7,15-16H,1-2H3,(H,11,13,14,17)/t4-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=56.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.297 g/mol  logS: -1.2358  SlogP: 0.0802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605842  Sterimol/B1: 3.49865  Sterimol/B2: 3.99326  Sterimol/B3: 4.23583
  Sterimol/B4: 4.71831  Sterimol/L: 14.9229 
 
 Surface and Volume Properties
  Accessible surface: 467.886  Positive charged surface: 293.911  Negative charged surface: 173.975  Volume: 227.75
  Hydrophobic surface: 196.213  Hydrophilic surface: 271.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.