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CHEMDIV-ZINC05141881

 MMsINC code: MMs00991540
Type: Neutral
Formula: C19H21N3O3S2
SMILES:   s1c2cc(S(=O)(=O)N(CC(=O)NC(C)c3ccccc3)C)ccc2nc1C
InChI:   InChI=1/C19H21N3O3S2/c1-13(15-7-5-4-6-8-15)20-19(23)12-22(3)27(24,25)16-9-10-17-18(11-16)26-14(2)21-17/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.527 g/mol  logS: -4.24352  SlogP: 3.19812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959504  Sterimol/B1: 2.38079  Sterimol/B2: 3.21614  Sterimol/B3: 4.4807
  Sterimol/B4: 9.50417  Sterimol/L: 17.6126 
 
 Surface and Volume Properties
  Accessible surface: 639.022  Positive charged surface: 368.023  Negative charged surface: 270.999  Volume: 363.625
  Hydrophobic surface: 514.351  Hydrophilic surface: 124.671
 
 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.