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ENAMINE-ZINC03176926

 MMsINC code: MMs01296111
Type: Neutral
Formula: C13H12ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)N(O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C13H12ClNO3S/c1-10-2-6-12(7-3-10)15(16)19(17,18)13-8-4-11(14)5-9-13/h2-9,16H,1H3

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Potential Energy
Epot(MMFF94)=104.378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.762 g/mol  logS: -4.05832  SlogP: 3.23292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103734  Sterimol/B1: 3.25733  Sterimol/B2: 3.73581  Sterimol/B3: 4.49248
  Sterimol/B4: 6.21321  Sterimol/L: 13.5857 
 
 Surface and Volume Properties
  Accessible surface: 476.555  Positive charged surface: 202.322  Negative charged surface: 274.233  Volume: 250
  Hydrophobic surface: 382.83  Hydrophilic surface: 93.725
 
 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.