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CHEMBRIDGE-ZINC02867206

 MMsINC code: MMs00729716
Type: Neutral
Formula: C20H17F3N2O4S
SMILES:   s1cccc1C(=O)NC1(C(F)(F)F)C(C(OC)=O)=C(N(Cc2ccccc2)C1=O)C
InChI:   InChI=1/C20H17F3N2O4S/c1-12-15(17(27)29-2)19(20(21,22)23,24-16(26)14-9-6-10-30-14)18(28)25(12)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,24,26)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=88.6822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.426 g/mol  logS: -5.40048  SlogP: 3.9547  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.286014  Sterimol/B1: 2.15602  Sterimol/B2: 2.77817  Sterimol/B3: 6.31799
  Sterimol/B4: 10.4316  Sterimol/L: 13.7213 
 
 Surface and Volume Properties
  Accessible surface: 613.948  Positive charged surface: 309.323  Negative charged surface: 304.625  Volume: 363.125
  Hydrophobic surface: 473.822  Hydrophilic surface: 140.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.