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CHEMBRIDGE-ZINC02838308

 MMsINC code: MMs00723453
Type: Neutral
Formula: C24H24N2O2S
SMILES:   S(Cc1ccccc1)CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O2S/c1-18(20-12-6-3-7-13-20)25-24(28)21-14-8-9-15-22(21)26-23(27)17-29-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.534 g/mol  logS: -6.58799  SlogP: 5.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323812  Sterimol/B1: 2.48425  Sterimol/B2: 2.50374  Sterimol/B3: 4.67159
  Sterimol/B4: 8.88745  Sterimol/L: 22.7125 
 
 Surface and Volume Properties
  Accessible surface: 732.924  Positive charged surface: 419.849  Negative charged surface: 313.075  Volume: 398
  Hydrophobic surface: 623.556  Hydrophilic surface: 109.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.