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PUBCHEM-ZINC06625422

MMsINC code: MMs03827727

Type: Neutral
Formula: C15H15ClFNO3S
SMILES:   Clc1cc(F)ccc1S(=O)(=O)N(CC(O)c1ccccc1)C
InChI:   InChI=1/C15H15ClFNO3S/c1-18(10-14(19)11-5-3-2-4-6-11)22(20,21)15-8-7-12(17)9-13(15)16/h2-9,14,19H,10H2,1H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=63.8825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.806 g/mol  logS: -3.89307  SlogP: 2.9287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992433  Sterimol/B1: 2.06776  Sterimol/B2: 3.10638  Sterimol/B3: 4.04088
  Sterimol/B4: 7.39527  Sterimol/L: 14.9085 
 
 Surface and Volume Properties
  Accessible surface: 519.208  Positive charged surface: 254.543  Negative charged surface: 264.665  Volume: 290.625
  Hydrophobic surface: 448.713  Hydrophilic surface: 70.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.