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ENAMINE-ZINC05966287

 MMsINC code: MMs01649047
Type: Neutral
Formula: C19H19ClN2O4S
SMILES:   Clc1c2oc(C(=O)Nc3cc(S(=O)(=O)N(C)C)c(cc3)C)c(c2ccc1)C
InChI:   InChI=1/C19H19ClN2O4S/c1-11-8-9-13(10-16(11)27(24,25)22(3)4)21-19(23)17-12(2)14-6-5-7-15(20)18(14)26-17/h5-10H,1-4H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=87.3269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.89 g/mol  logS: -5.92191  SlogP: 4.20564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260931  Sterimol/B1: 3.11753  Sterimol/B2: 3.58949  Sterimol/B3: 4.0332
  Sterimol/B4: 6.66659  Sterimol/L: 17.8264 
 
 Surface and Volume Properties
  Accessible surface: 628.35  Positive charged surface: 355.064  Negative charged surface: 267.624  Volume: 353.125
  Hydrophobic surface: 536.621  Hydrophilic surface: 91.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.