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ENAMINE-ZINC03488482

 MMsINC code: MMs01469756
Type: Neutral
Formula: C11H13N3O6S
SMILES:   S(=O)(=O)(NC)c1cc(ccc1)C(OCC(=O)NC(=O)N)=O
InChI:   InChI=1/C11H13N3O6S/c1-13-21(18,19)8-4-2-3-7(5-8)10(16)20-6-9(15)14-11(12)17/h2-5,13H,6H2,1H3,(H3,12,14,15,17)

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Potential Energy
Epot(MMFF94)=10.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.306 g/mol  logS: -2.11168  SlogP: -1.0536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308611  Sterimol/B1: 2.30111  Sterimol/B2: 2.38032  Sterimol/B3: 4.69199
  Sterimol/B4: 6.91336  Sterimol/L: 17.1164 
 
 Surface and Volume Properties
  Accessible surface: 534.837  Positive charged surface: 327.377  Negative charged surface: 207.46  Volume: 255.375
  Hydrophobic surface: 234.655  Hydrophilic surface: 300.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.