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PUBCHEM-ZINC06393381

 MMsINC code: MMs03704281
Type: Ionized
Formula: C15H13F2N2O4S-
SMILES:   S1C2N(C(C(=O)[O-])C1(C)C)C(=O)C2NC(=O)c1c(F)cccc1F
InChI:   InChI=1/C15H14F2N2O4S/c1-15(2)10(14(22)23)19-12(21)9(13(19)24-15)18-11(20)8-6(16)4-3-5-7(8)17/h3-5,9-10,13H,1-2H3,(H,18,20)(H,22,23)/p-1/t9-,10-,13+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.341 g/mol  logS: -4.26855  SlogP: -0.1246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904059  Sterimol/B1: 3.02951  Sterimol/B2: 3.95436  Sterimol/B3: 5.07364
  Sterimol/B4: 5.31406  Sterimol/L: 15.5669 
 
 Surface and Volume Properties
  Accessible surface: 539.393  Positive charged surface: 230.22  Negative charged surface: 285.487  Volume: 289
  Hydrophobic surface: 322.443  Hydrophilic surface: 216.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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Parent related molecule:


MMs03704280
PUBCHEM-ZINC06393381