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ENAMINE-ZINC04979878

 MMsINC code: MMs01571722
Type: Neutral
Formula: C19H18N2O3S2
SMILES:   S1\C(=N/CC=C)\N(S(=O)(=O)c2ccc(cc2)C)C(=O)C1c1ccccc1
InChI:   InChI=1/C19H18N2O3S2/c1-3-13-20-19-21(26(23,24)16-11-9-14(2)10-12-16)18(22)17(25-19)15-7-5-4-6-8-15/h3-12,17H,1,13H2,2H3/b20-19-/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=33.4519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.496 g/mol  logS: -6.12088  SlogP: 3.63792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807896  Sterimol/B1: 2.9648  Sterimol/B2: 3.10241  Sterimol/B3: 5.05381
  Sterimol/B4: 9.60673  Sterimol/L: 16.8102 
 
 Surface and Volume Properties
  Accessible surface: 627.89  Positive charged surface: 312.405  Negative charged surface: 315.485  Volume: 348
  Hydrophobic surface: 466.431  Hydrophilic surface: 161.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.