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CHEMBLOCK-ZINC01024556

 MMsINC code: MMs00510555
Type: Neutral
Formula: C6H10N4O2S
SMILES:   S=C1NC2N(CCO)C(=O)NC2N1
InChI:   InChI=1/C6H10N4O2S/c11-2-1-10-4-3(8-6(10)12)7-5(13)9-4/h3-4,11H,1-2H2,(H,8,12)(H2,7,9,13)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=40.0251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.238 g/mol  logS: -0.58537  SlogP: -1.8662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181309  Sterimol/B1: 2.07104  Sterimol/B2: 4.08638  Sterimol/B3: 4.21254
  Sterimol/B4: 4.64821  Sterimol/L: 11.1364 
 
 Surface and Volume Properties
  Accessible surface: 372.617  Positive charged surface: 245.282  Negative charged surface: 127.335  Volume: 167.25
  Hydrophobic surface: 114.478  Hydrophilic surface: 258.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.