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CHEMBRIDGE-ZINC04750603

 MMsINC code: MMs00784025
Type: Neutral
Formula: C24H24N2O2S
SMILES:   s1cc(C(=O)Nc2ccc(cc2)C(=O)N2CCCCC2)c(-c2ccccc2)c1C
InChI:   InChI=1/C24H24N2O2S/c1-17-22(18-8-4-2-5-9-18)21(16-29-17)23(27)25-20-12-10-19(11-13-20)24(28)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.534 g/mol  logS: -6.54268  SlogP: 5.60192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397672  Sterimol/B1: 2.95765  Sterimol/B2: 3.81984  Sterimol/B3: 5.36731
  Sterimol/B4: 6.203  Sterimol/L: 18.604 
 
 Surface and Volume Properties
  Accessible surface: 680.165  Positive charged surface: 408.85  Negative charged surface: 271.314  Volume: 388.75
  Hydrophobic surface: 625.448  Hydrophilic surface: 54.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.