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MAYBRIDGE-ZINC01026363

 MMsINC code: MMs02148501
Type: Neutral
Formula: C18H12F4N2O3S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1C(=O)N)-c1ccc(F)cc1
InChI:   InChI=1/C18H12F4N2O3S2/c19-12-5-1-10(2-6-12)15-9-14(16(28-15)17(23)25)24-29(26,27)13-7-3-11(4-8-13)18(20,21)22/h1-9,24H,(H2,23,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.429 g/mol  logS: -6.85222  SlogP: 4.7842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215621  Sterimol/B1: 3.03405  Sterimol/B2: 5.38335  Sterimol/B3: 6.19819
  Sterimol/B4: 6.34645  Sterimol/L: 14.663 
 
 Surface and Volume Properties
  Accessible surface: 604.331  Positive charged surface: 220.541  Negative charged surface: 383.79  Volume: 335.375
  Hydrophobic surface: 333.164  Hydrophilic surface: 271.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.