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ENAMINE-ZINC05120489

 MMsINC code: MMs01589645
Type: Neutral
Formula: C10H13ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)NC(CC)C)ccc1F
InChI:   InChI=1/C10H13ClFNO2S/c1-3-7(2)13-16(14,15)8-4-5-10(12)9(11)6-8/h4-7,13H,3H2,1-2H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=4.56835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.736 g/mol  logS: -3.10832  SlogP: 2.5559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1536  Sterimol/B1: 3.35594  Sterimol/B2: 4.17767  Sterimol/B3: 4.60695
  Sterimol/B4: 4.69248  Sterimol/L: 12.9689 
 
 Surface and Volume Properties
  Accessible surface: 434.377  Positive charged surface: 201.03  Negative charged surface: 233.347  Volume: 219.375
  Hydrophobic surface: 325.55  Hydrophilic surface: 108.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.