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ENAMINE-ZINC05121363

 MMsINC code: MMs01589965
Type: Neutral
Formula: C14H13F2NO4S2
SMILES:   S(=O)(=O)(C(F)F)c1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C14H13F2NO4S2/c1-10-2-6-13(7-3-10)23(20,21)17-11-4-8-12(9-5-11)22(18,19)14(15)16/h2-9,14,17H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.389 g/mol  logS: -3.7452  SlogP: 3.21202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109499  Sterimol/B1: 2.30012  Sterimol/B2: 3.49969  Sterimol/B3: 3.59035
  Sterimol/B4: 7.95246  Sterimol/L: 14.6459 
 
 Surface and Volume Properties
  Accessible surface: 532.017  Positive charged surface: 239.018  Negative charged surface: 292.999  Volume: 284
  Hydrophobic surface: 316.447  Hydrophilic surface: 215.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.