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ANALYTICONDISCOVERY-ZINC03840273

 MMsINC code: MMs00027113
Type: Neutral
Formula: C10H18N4O4S
SMILES:   S1(=O)(=O)NC(=O)C2N1CCC(NC(=O)NC(C)C)C2
InChI:   InChI=1/C10H18N4O4S/c1-6(2)11-10(16)12-7-3-4-14-8(5-7)9(15)13-19(14,17)18/h6-8H,3-5H2,1-2H3,(H,13,15)(H2,11,12,16)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-37.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.344 g/mol  logS: -1.1285  SlogP: -1.0984  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126919  Sterimol/B1: 3.05819  Sterimol/B2: 3.67004  Sterimol/B3: 3.84959
  Sterimol/B4: 5.03991  Sterimol/L: 14.0493 
 
 Surface and Volume Properties
  Accessible surface: 486.623  Positive charged surface: 307.379  Negative charged surface: 179.243  Volume: 244.875
  Hydrophobic surface: 251.939  Hydrophilic surface: 234.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.