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IFLAB-ZINC00392135

 MMsINC code: MMs01978435
Type: Neutral
Formula: C7H10N4O2S
SMILES:   s1cc(nc1CC(=O)N)CC(=O)NN
InChI:   InChI=1/C7H10N4O2S/c8-5(12)2-7-10-4(3-14-7)1-6(13)11-9/h3H,1-2,9H2,(H2,8,12)(H,11,13)

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Potential Energy
Epot(MMFF94)=56.6609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.249 g/mol  logS: -0.84636  SlogP: -1.29676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557277  Sterimol/B1: 2.22239  Sterimol/B2: 2.44387  Sterimol/B3: 3.76378
  Sterimol/B4: 6.48384  Sterimol/L: 12.4039 
 
 Surface and Volume Properties
  Accessible surface: 409.567  Positive charged surface: 264.188  Negative charged surface: 145.379  Volume: 180.625
  Hydrophobic surface: 172.559  Hydrophilic surface: 237.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.