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CHEMDIV-ZINC06779385

 MMsINC code: MMs01020935
Type: Neutral
Formula: C18H20N2O4S2
SMILES:   S1c2c(N(CC1C)C(=O)C)cc(S(=O)(=O)Nc1cc(OC)ccc1)cc2
InChI:   InChI=1/C18H20N2O4S2/c1-12-11-20(13(2)21)17-10-16(7-8-18(17)25-12)26(22,23)19-14-5-4-6-15(9-14)24-3/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=111.806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.5 g/mol  logS: -4.69801  SlogP: 3.3431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131992  Sterimol/B1: 2.25617  Sterimol/B2: 3.62046  Sterimol/B3: 4.97261
  Sterimol/B4: 8.35384  Sterimol/L: 15.4301 
 
 Surface and Volume Properties
  Accessible surface: 606.438  Positive charged surface: 369.778  Negative charged surface: 236.66  Volume: 343.375
  Hydrophobic surface: 438.319  Hydrophilic surface: 168.119
 
 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.