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CHEMDIV-ZINC06859641

 MMsINC code: MMs01048077
Type: Neutral
Formula: C19H20N2O3S2
SMILES:   s1c2cc(S(=O)(=O)CCC(=O)Nc3cc(cc(c3)C)C)ccc2nc1C
InChI:   InChI=1/C19H20N2O3S2/c1-12-8-13(2)10-15(9-12)21-19(22)6-7-26(23,24)16-4-5-17-18(11-16)25-14(3)20-17/h4-5,8-11H,6-7H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=65.6993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.512 g/mol  logS: -5.02916  SlogP: 4.02406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332928  Sterimol/B1: 3.23338  Sterimol/B2: 4.73755  Sterimol/B3: 4.7557
  Sterimol/B4: 5.85154  Sterimol/L: 20.5517 
 
 Surface and Volume Properties
  Accessible surface: 671.755  Positive charged surface: 371.573  Negative charged surface: 300.182  Volume: 350.125
  Hydrophobic surface: 549.298  Hydrophilic surface: 122.457
 
 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.