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CHEMBRIDGE-ZINC01011105

 MMsINC code: MMs00651886
Type: Neutral
Formula: C19H14FNO4S
SMILES:   S1\C(=C/c2ccc(cc2)C(OC)=O)\C(=O)N(Cc2ccc(F)cc2)C1=O
InChI:   InChI=1/C19H14FNO4S/c1-25-18(23)14-6-2-12(3-7-14)10-16-17(22)21(19(24)26-16)11-13-4-8-15(20)9-5-13/h2-10H,11H2,1H3/b16-10-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.388 g/mol  logS: -5.42928  SlogP: 4.1152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598822  Sterimol/B1: 3.5545  Sterimol/B2: 3.96096  Sterimol/B3: 4.77337
  Sterimol/B4: 5.06362  Sterimol/L: 18.6687 
 
 Surface and Volume Properties
  Accessible surface: 601.155  Positive charged surface: 323.304  Negative charged surface: 277.851  Volume: 323.25
  Hydrophobic surface: 454.735  Hydrophilic surface: 146.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.