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IBS-ZINC02384617

MMsINC code: MMs01848380

Type: Neutral
Formula: C16H10FNO3S
SMILES:   S1\C(=C\c2cc(F)ccc2)\C(=O)N(c2ccc(O)cc2)C1=O
InChI:   InChI=1/C16H10FNO3S/c17-11-3-1-2-10(8-11)9-14-15(20)18(16(21)22-14)12-4-6-13(19)7-5-12/h1-9,19H/b14-9+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=81.5339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.324 g/mol  logS: -4.74156  SlogP: 3.7722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981119  Sterimol/B1: 2.70488  Sterimol/B2: 2.73411  Sterimol/B3: 4.74182
  Sterimol/B4: 7.46163  Sterimol/L: 14.7726 
 
 Surface and Volume Properties
  Accessible surface: 519.149  Positive charged surface: 241.575  Negative charged surface: 277.573  Volume: 268
  Hydrophobic surface: 362.221  Hydrophilic surface: 156.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.