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CHEMBRIDGE-ZINC00952963

 MMsINC code: MMs00648141
Type: Neutral
Formula: C20H15F2NO4S
SMILES:   s1cc(-c2ccccc2)c(C(OC)=O)c1NC(=O)c1ccc(OC(F)F)cc1
InChI:   InChI=1/C20H15F2NO4S/c1-26-19(25)16-15(12-5-3-2-4-6-12)11-28-18(16)23-17(24)13-7-9-14(10-8-13)27-20(21)22/h2-11,20H,1H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=108.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.405 g/mol  logS: -6.26224  SlogP: 5.4753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272867  Sterimol/B1: 1.969  Sterimol/B2: 2.47888  Sterimol/B3: 4.20975
  Sterimol/B4: 8.25312  Sterimol/L: 19.0119 
 
 Surface and Volume Properties
  Accessible surface: 632.597  Positive charged surface: 321.67  Negative charged surface: 310.927  Volume: 344.5
  Hydrophobic surface: 484.732  Hydrophilic surface: 147.865
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.