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ENAMINE-ZINC05019355

 MMsINC code: MMs01575869
Type: Neutral
Formula: C19H16F2N2O4S
SMILES:   S(C(C(=O)c1cc(F)c(F)cc1)C)c1oc(nn1)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H16F2N2O4S/c1-10(17(24)11-4-6-13(20)14(21)8-11)28-19-23-22-18(27-19)12-5-7-15(25-2)16(9-12)26-3/h4-10H,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=105.829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.409 g/mol  logS: -8.09223  SlogP: 4.3955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213777  Sterimol/B1: 2.26137  Sterimol/B2: 4.2024  Sterimol/B3: 4.72285
  Sterimol/B4: 5.74097  Sterimol/L: 20.9264 
 
 Surface and Volume Properties
  Accessible surface: 652.767  Positive charged surface: 369.048  Negative charged surface: 283.72  Volume: 345.5
  Hydrophobic surface: 492.403  Hydrophilic surface: 160.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.