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PUBCHEM-ZINC06393390

 MMsINC code: MMs03704289
Type: Ionized
Formula: C15H14FN2O4S-
SMILES:   S1C2N(C(C(=O)[O-])C1(C)C)C(=O)C2NC(=O)c1ccccc1F
InChI:   InChI=1/C15H15FN2O4S/c1-15(2)10(14(21)22)18-12(20)9(13(18)23-15)17-11(19)7-5-3-4-6-8(7)16/h3-6,9-10,13H,1-2H3,(H,17,19)(H,21,22)/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)=80.3105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.351 g/mol  logS: -3.97357  SlogP: -0.2637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856862  Sterimol/B1: 2.99397  Sterimol/B2: 4.09976  Sterimol/B3: 4.82088
  Sterimol/B4: 5.4164  Sterimol/L: 15.6287 
 
 Surface and Volume Properties
  Accessible surface: 539.207  Positive charged surface: 237.968  Negative charged surface: 276.927  Volume: 287.5
  Hydrophobic surface: 318.367  Hydrophilic surface: 220.84
 
 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:


MMs03704288
PUBCHEM-ZINC06393390