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ENAMINE-ZINC02656588

 MMsINC code: MMs01279372
Type: Neutral
Formula: C11H13ClF3NO3S
SMILES:   Clc1ccc(cc1S(=O)(=O)NCCCOC)C(F)(F)F
InChI:   InChI=1/C11H13ClF3NO3S/c1-19-6-2-5-16-20(17,18)10-7-8(11(13,14)15)3-4-9(10)12/h3-4,7,16H,2,5-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.742 g/mol  logS: -3.35811  SlogP: 2.9851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631  Sterimol/B1: 2.85562  Sterimol/B2: 3.27495  Sterimol/B3: 4.50252
  Sterimol/B4: 5.86035  Sterimol/L: 16.0926 
 
 Surface and Volume Properties
  Accessible surface: 494.771  Positive charged surface: 244.083  Negative charged surface: 250.688  Volume: 250.125
  Hydrophobic surface: 300.488  Hydrophilic surface: 194.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.