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ENAMINE-ZINC03561606

MMsINC code: MMs01509267

Type: Neutral
Formula: C19H16F2N2O3S
SMILES:   S(CCC(N1C(=O)c2c(cccc2)C1=O)C(=O)Nc1ccc(F)cc1F)C
InChI:   InChI=1/C19H16F2N2O3S/c1-27-9-8-16(17(24)22-15-7-6-11(20)10-14(15)21)23-18(25)12-4-2-3-5-13(12)19(23)26/h2-7,10,16H,8-9H2,1H3,(H,22,24)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=77.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.41 g/mol  logS: -5.71477  SlogP: 3.3212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778769  Sterimol/B1: 2.3773  Sterimol/B2: 3.68043  Sterimol/B3: 4.55761
  Sterimol/B4: 10.2575  Sterimol/L: 15.8145 
 
 Surface and Volume Properties
  Accessible surface: 620.719  Positive charged surface: 304.991  Negative charged surface: 315.728  Volume: 334.5
  Hydrophobic surface: 496.876  Hydrophilic surface: 123.843
 
 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.