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ASINEX-ZINC00322706

 MMsINC code: MMs00118538
Type: Neutral
Formula: C10H14ClNO2S
SMILES:   ClCC(NS(=O)(=O)c1ccccc1)(C)C
InChI:   InChI=1/C10H14ClNO2S/c1-10(2,8-11)12-15(13,14)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=41.5606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.746 g/mol  logS: -2.64256  SlogP: 1.9823  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.241528  Sterimol/B1: 2.99032  Sterimol/B2: 3.39045  Sterimol/B3: 4.91173
  Sterimol/B4: 4.98189  Sterimol/L: 11.6473 
 
 Surface and Volume Properties
  Accessible surface: 410.305  Positive charged surface: 203.829  Negative charged surface: 206.477  Volume: 217.25
  Hydrophobic surface: 253.343  Hydrophilic surface: 156.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.