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ENAMINE-ZINC01512989

MMsINC code: MMs01242362

Type: Ionized
Formula: C16H15FNO4S-
SMILES:   S(=O)(=O)(NC(Cc1ccc(F)cc1)C(=O)[O-])c1ccc(cc1)C
InChI:   InChI=1/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)/p-1/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=40.5892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.363 g/mol  logS: -4.07742  SlogP: 0.77359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239105  Sterimol/B1: 3.48074  Sterimol/B2: 4.31289  Sterimol/B3: 4.60076
  Sterimol/B4: 5.3102  Sterimol/L: 12.9135 
 
 Surface and Volume Properties
  Accessible surface: 487.308  Positive charged surface: 242.033  Negative charged surface: 245.275  Volume: 293
  Hydrophobic surface: 338.344  Hydrophilic surface: 148.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01242361
ENAMINE-ZINC01512989