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CHEMDIV-ZINC05141858

 MMsINC code: MMs00991534
Type: Neutral
Formula: C19H21N3O3S2
SMILES:   s1c2cc(S(=O)(=O)N(CC(=O)NCc3ccc(cc3)C)C)ccc2nc1C
InChI:   InChI=1/C19H21N3O3S2/c1-13-4-6-15(7-5-13)11-20-19(23)12-22(3)27(24,25)16-8-9-17-18(10-16)26-14(2)21-17/h4-10H,11-12H2,1-3H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=55.6263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.527 g/mol  logS: -4.39023  SlogP: 3.11644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698136  Sterimol/B1: 3.92521  Sterimol/B2: 4.05012  Sterimol/B3: 6.30904
  Sterimol/B4: 7.42535  Sterimol/L: 16.5034 
 
 Surface and Volume Properties
  Accessible surface: 662.511  Positive charged surface: 389.937  Negative charged surface: 272.573  Volume: 366.375
  Hydrophobic surface: 545.217  Hydrophilic surface: 117.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.