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ENAMINE-ZINC03246624

 MMsINC code: MMs01328118
Type: Neutral
Formula: C15H13ClF3NO2S
SMILES:   Clc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)C(F)F)cc1
InChI:   InChI=1/C15H13ClF3NO2S/c16-12-3-7-14(8-4-12)23(21,22)20(15(18)19)10-9-11-1-5-13(17)6-2-11/h1-8,15H,9-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.787 g/mol  logS: -4.24095  SlogP: 4.35497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120455  Sterimol/B1: 2.67519  Sterimol/B2: 4.99251  Sterimol/B3: 5.46436
  Sterimol/B4: 6.25363  Sterimol/L: 14.2367 
 
 Surface and Volume Properties
  Accessible surface: 530.622  Positive charged surface: 203.81  Negative charged surface: 326.812  Volume: 289.875
  Hydrophobic surface: 417.017  Hydrophilic surface: 113.605
 
 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.