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ENAMINE-ZINC03411363

 MMsINC code: MMs01425992
Type: Neutral
Formula: C11H8ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)c2occc2)cc1
InChI:   InChI=1/C11H8ClNO4S/c12-8-3-5-9(6-4-8)18(15,16)13-11(14)10-2-1-7-17-10/h1-7H,(H,13,14)

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Potential Energy
Epot(MMFF94)=-1.44276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.707 g/mol  logS: -4.06382  SlogP: 2.0517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132883  Sterimol/B1: 3.26722  Sterimol/B2: 3.27165  Sterimol/B3: 4.7392
  Sterimol/B4: 5.90664  Sterimol/L: 13.7041 
 
 Surface and Volume Properties
  Accessible surface: 461.336  Positive charged surface: 174.168  Negative charged surface: 287.168  Volume: 224.125
  Hydrophobic surface: 349.789  Hydrophilic surface: 111.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.