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PUBCHEM-ZINC06883671

 MMsINC code: MMs03887873
Type: Neutral
Formula: C10H13ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)NCC(C)C)ccc1F
InChI:   InChI=1/C10H13ClFNO2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3

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Potential Energy
Epot(MMFF94)=5.35556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.736 g/mol  logS: -2.98288  SlogP: 2.4134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172726  Sterimol/B1: 2.21139  Sterimol/B2: 3.7559  Sterimol/B3: 5.89492
  Sterimol/B4: 5.94751  Sterimol/L: 12.3183 
 
 Surface and Volume Properties
  Accessible surface: 452.03  Positive charged surface: 210.484  Negative charged surface: 241.546  Volume: 223.625
  Hydrophobic surface: 333.773  Hydrophilic surface: 118.257
 
 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.