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ENAMINE-ZINC03123522

 MMsINC code: MMs01290777
Type: Neutral
Formula: C14H12ClNO2S
SMILES:   Cl\C(=N\S(=O)(=O)c1ccc(cc1)C)\c1ccccc1
InChI:   InChI=1/C14H12ClNO2S/c1-11-7-9-13(10-8-11)19(17,18)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3/b16-14+

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Potential Energy
Epot(MMFF94)=57.8942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.774 g/mol  logS: -5.12667  SlogP: 3.36932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066765  Sterimol/B1: 3.01068  Sterimol/B2: 3.70249  Sterimol/B3: 3.99789
  Sterimol/B4: 5.54163  Sterimol/L: 14.9242 
 
 Surface and Volume Properties
  Accessible surface: 500.687  Positive charged surface: 222.74  Negative charged surface: 277.948  Volume: 257.5
  Hydrophobic surface: 383.008  Hydrophilic surface: 117.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.