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ENAMINE-ZINC03358102

 MMsINC code: MMs01394139
Type: Neutral
Formula: C10H11ClF3NO2S
SMILES:   Clc1ccc(NS(=O)(=O)CCC)cc1C(F)(F)F
InChI:   InChI=1/C10H11ClF3NO2S/c1-2-5-18(16,17)15-7-3-4-9(11)8(6-7)10(12,13)14/h3-4,6,15H,2,5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.6331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.716 g/mol  logS: -3.54268  SlogP: 3.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176371  Sterimol/B1: 2.41009  Sterimol/B2: 3.61013  Sterimol/B3: 4.32634
  Sterimol/B4: 5.74003  Sterimol/L: 13.0704 
 
 Surface and Volume Properties
  Accessible surface: 460.004  Positive charged surface: 189.008  Negative charged surface: 270.995  Volume: 225
  Hydrophobic surface: 262.106  Hydrophilic surface: 197.898
 
 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.