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CHEMDIV-ZINC03008481

 MMsINC code: MMs00901508
Type: Neutral
Formula: C19H15F2N3O3S
SMILES:   S1(=O)(=O)Cc2c(nn(-c3ccccc3C)c2NC(=O)c2c(F)cccc2F)C1
InChI:   InChI=1/C19H15F2N3O3S/c1-11-5-2-3-8-16(11)24-18(12-9-28(26,27)10-15(12)23-24)22-19(25)17-13(20)6-4-7-14(17)21/h2-8H,9-10H2,1H3,(H,22,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.409 g/mol  logS: -4.93052  SlogP: 3.67242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11915  Sterimol/B1: 2.59723  Sterimol/B2: 4.87162  Sterimol/B3: 5.46482
  Sterimol/B4: 8.83191  Sterimol/L: 14.2848 
 
 Surface and Volume Properties
  Accessible surface: 597.847  Positive charged surface: 294.846  Negative charged surface: 303.001  Volume: 334.125
  Hydrophobic surface: 485.829  Hydrophilic surface: 112.018
 
 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.