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ENAMINE-ZINC04218921

 MMsINC code: MMs01535988
Type: Neutral
Formula: C6H10N2O4S
SMILES:   S(=O)(=O)(CCC1NC(=O)NC1=O)C
InChI:   InChI=1/C6H10N2O4S/c1-13(11,12)3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-6.68857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.222 g/mol  logS: -0.45342  SlogP: -1.3709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855982  Sterimol/B1: 3.08581  Sterimol/B2: 3.38556  Sterimol/B3: 3.8855
  Sterimol/B4: 4.42461  Sterimol/L: 11.951 
 
 Surface and Volume Properties
  Accessible surface: 371.54  Positive charged surface: 198.535  Negative charged surface: 173.006  Volume: 165.625
  Hydrophobic surface: 145.086  Hydrophilic surface: 226.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.