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ENAMINE-ZINC03326382

 MMsINC code: MMs01373446
Type: Neutral
Formula: C18H13ClF3NO4S2
SMILES:   Clc1ccc(S(=O)(=O)N(S(=O)(=O)c2cc3c(cc2)cccc3)C)cc1C(F)(F)F
InChI:   InChI=1/C18H13ClF3NO4S2/c1-23(28(24,25)14-7-6-12-4-2-3-5-13(12)10-14)29(26,27)15-8-9-17(19)16(11-15)18(20,21)22/h2-11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.5931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.884 g/mol  logS: -6.83254  SlogP: 4.8329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472916  Sterimol/B1: 1.969  Sterimol/B2: 3.98517  Sterimol/B3: 4.15141
  Sterimol/B4: 6.6311  Sterimol/L: 18.208 
 
 Surface and Volume Properties
  Accessible surface: 611.307  Positive charged surface: 224.192  Negative charged surface: 376.118  Volume: 349.625
  Hydrophobic surface: 431.02  Hydrophilic surface: 180.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.