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CHEMDIV-ZINC03480958

 MMsINC code: MMs00910640
Type: Neutral
Formula: C20H24N2O3S
SMILES:   S(=O)(=O)(N1CC(CC(C1)C)C)c1ccc(cc1)C(=O)Nc1ccccc1
InChI:   InChI=1/C20H24N2O3S/c1-15-12-16(2)14-22(13-15)26(24,25)19-10-8-17(9-11-19)20(23)21-18-6-4-3-5-7-18/h3-11,15-16H,12-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.4759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.489 g/mol  logS: -4.42612  SlogP: 3.6055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922765  Sterimol/B1: 2.29113  Sterimol/B2: 4.50206  Sterimol/B3: 5.47142
  Sterimol/B4: 6.66069  Sterimol/L: 16.9077 
 
 Surface and Volume Properties
  Accessible surface: 603.713  Positive charged surface: 365.032  Negative charged surface: 238.681  Volume: 354.375
  Hydrophobic surface: 477.899  Hydrophilic surface: 125.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.