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ENAMINE-ZINC05966165

 MMsINC code: MMs01649023
Type: Neutral
Formula: C14H14N2O3S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)CC(=O)N(C)C
InChI:   InChI=1/C14H14N2O3S/c1-15(2)13(17)9-16-11-7-3-5-10-6-4-8-12(14(10)11)20(16,18)19/h3-8H,9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.343 g/mol  logS: -3.42126  SlogP: 1.4367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895671  Sterimol/B1: 2.30308  Sterimol/B2: 4.69571  Sterimol/B3: 5.02696
  Sterimol/B4: 5.03643  Sterimol/L: 13.9664 
 
 Surface and Volume Properties
  Accessible surface: 485.153  Positive charged surface: 293.089  Negative charged surface: 181.759  Volume: 255
  Hydrophobic surface: 393.284  Hydrophilic surface: 91.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.