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ENAMINE-ZINC03216890

 MMsINC code: MMs01310662
Type: Neutral
Formula: C13H17F2N3O4S2
SMILES:   S(C(F)F)c1ccc(NC(=O)NC(=O)N(S(=O)(=O)C)C(C)C)cc1
InChI:   InChI=1/C13H17F2N3O4S2/c1-8(2)18(24(3,21)22)13(20)17-12(19)16-9-4-6-10(7-5-9)23-11(14)15/h4-8,11H,1-3H3,(H2,16,17,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.4321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.424 g/mol  logS: -3.53351  SlogP: 3.3327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688238  Sterimol/B1: 2.32079  Sterimol/B2: 2.47418  Sterimol/B3: 5.40758
  Sterimol/B4: 6.28068  Sterimol/L: 16.4383 
 
 Surface and Volume Properties
  Accessible surface: 575.279  Positive charged surface: 281.032  Negative charged surface: 294.247  Volume: 306
  Hydrophobic surface: 305.99  Hydrophilic surface: 269.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.