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NCID-ZINC01620473

 MMsINC code: MMs02268652
Type: Neutral
Formula: C4H8N2O3S
SMILES:   S1(=O)(=O)NC(C)C(=O)N1C
InChI:   InChI=1/C4H8N2O3S/c1-3-4(7)6(2)10(8,9)5-3/h3,5H,1-2H3/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-20.2363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.185 g/mol  logS: -0.05355  SlogP: -1.3187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159943  Sterimol/B1: 2.86751  Sterimol/B2: 3.12101  Sterimol/B3: 3.47835
  Sterimol/B4: 4.70094  Sterimol/L: 9.31861 
 
 Surface and Volume Properties
  Accessible surface: 307.936  Positive charged surface: 189.526  Negative charged surface: 118.411  Volume: 126.25
  Hydrophobic surface: 148.694  Hydrophilic surface: 159.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.