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MAYBRIDGE-ZINC01034395

 MMsINC code: MMs02150776
Type: Neutral
Formula: C16H16N2O5S2
SMILES:   s1ccc(S(=O)(=O)N2c3c(NC(=O)CC2C)cccc3)c1C(OC)=O
InChI:   InChI=1/C16H16N2O5S2/c1-10-9-14(19)17-11-5-3-4-6-12(11)18(10)25(21,22)13-7-8-24-15(13)16(20)23-2/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=96.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.445 g/mol  logS: -3.87076  SlogP: 2.4607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328208  Sterimol/B1: 2.08018  Sterimol/B2: 4.23597  Sterimol/B3: 4.77873
  Sterimol/B4: 9.20196  Sterimol/L: 11.5642 
 
 Surface and Volume Properties
  Accessible surface: 507.671  Positive charged surface: 283.413  Negative charged surface: 224.258  Volume: 314.625
  Hydrophobic surface: 386.772  Hydrophilic surface: 120.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.