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PUBCHEM-ZINC06791256

 MMsINC code: MMs03859955
Type: Neutral
Formula: C10H14N4O2S
SMILES:   S=C1NC=2N(C)C(=O)NC(=O)C=2N1C(CC)C
InChI:   InChI=1/C10H14N4O2S/c1-4-5(2)14-6-7(11-10(14)17)13(3)9(16)12-8(6)15/h5H,4H2,1-3H3,(H,11,17)(H,12,15,16)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=30.9272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.314 g/mol  logS: -3.09378  SlogP: 0.3257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187284  Sterimol/B1: 2.36338  Sterimol/B2: 3.52105  Sterimol/B3: 5.97487
  Sterimol/B4: 6.03502  Sterimol/L: 11.6942 
 
 Surface and Volume Properties
  Accessible surface: 429.93  Positive charged surface: 270.993  Negative charged surface: 158.937  Volume: 222.875
  Hydrophobic surface: 193.174  Hydrophilic surface: 236.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.