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IFLAB-ZINC00074461

 MMsINC code: MMs01972974
Type: Neutral
Formula: C10H13ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)N(CC)CC)ccc1F
InChI:   InChI=1/C10H13ClFNO2S/c1-3-13(4-2)16(14,15)8-5-6-10(12)9(11)7-8/h5-7H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=16.3272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.736 g/mol  logS: -2.98213  SlogP: 2.5096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152867  Sterimol/B1: 2.44254  Sterimol/B2: 2.55246  Sterimol/B3: 5.16581
  Sterimol/B4: 6.13843  Sterimol/L: 12.0313 
 
 Surface and Volume Properties
  Accessible surface: 432.688  Positive charged surface: 205.39  Negative charged surface: 227.297  Volume: 225.25
  Hydrophobic surface: 338.379  Hydrophilic surface: 94.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.