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IBS-ZINC00501097

 MMsINC code: MMs01741260
Type: Neutral
Formula: C10H12ClNO3S
SMILES:   ClCC(=O)CNS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C10H12ClNO3S/c1-8-2-4-10(5-3-8)16(14,15)12-7-9(13)6-11/h2-5,12H,6-7H2,1H3

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Potential Energy
Epot(MMFF94)=20.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.729 g/mol  logS: -2.79341  SlogP: 1.08122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104655  Sterimol/B1: 2.56046  Sterimol/B2: 2.86536  Sterimol/B3: 4.38581
  Sterimol/B4: 6.36304  Sterimol/L: 14.6236 
 
 Surface and Volume Properties
  Accessible surface: 459.473  Positive charged surface: 218.613  Negative charged surface: 240.86  Volume: 220.75
  Hydrophobic surface: 271.901  Hydrophilic surface: 187.572
 
 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.