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CHEMDIV-ZINC06866854

 MMsINC code: MMs01048698
Type: Neutral
Formula: C19H22N2O4S
SMILES:   S(=O)(=O)(N(Cc1occc1)C)c1cc2CC(N(c2cc1)C(=O)C1CC1)C
InChI:   InChI=1/C19H22N2O4S/c1-13-10-15-11-17(7-8-18(15)21(13)19(22)14-5-6-14)26(23,24)20(2)12-16-4-3-9-25-16/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=65.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.461 g/mol  logS: -3.73395  SlogP: 3.05427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127252  Sterimol/B1: 2.74514  Sterimol/B2: 4.12096  Sterimol/B3: 4.33071
  Sterimol/B4: 7.03267  Sterimol/L: 15.4402 
 
 Surface and Volume Properties
  Accessible surface: 572.701  Positive charged surface: 344.799  Negative charged surface: 227.902  Volume: 346.5
  Hydrophobic surface: 423.501  Hydrophilic surface: 149.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.