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CHEMDIV-ZINC06859647

 MMsINC code: MMs01048083
Type: Neutral
Formula: C19H20N2O3S2
SMILES:   s1c2cc(S(=O)(=O)CCC(=O)Nc3cc(ccc3)CC)ccc2nc1C
InChI:   InChI=1/C19H20N2O3S2/c1-3-14-5-4-6-15(11-14)21-19(22)9-10-26(23,24)16-7-8-17-18(12-16)25-13(2)20-17/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=63.1666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.512 g/mol  logS: -5.07046  SlogP: 3.96959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295255  Sterimol/B1: 3.55633  Sterimol/B2: 4.34658  Sterimol/B3: 4.96991
  Sterimol/B4: 5.05916  Sterimol/L: 21.9169 
 
 Surface and Volume Properties
  Accessible surface: 668.114  Positive charged surface: 370.272  Negative charged surface: 297.842  Volume: 350.125
  Hydrophobic surface: 523.651  Hydrophilic surface: 144.463
 
 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.