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CHEMDIV-ZINC03025365

 MMsINC code: MMs00904265
Type: Neutral
Formula: C26H30N2O3S
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C(=O)NCCc1ccccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C26H30N2O3S/c1-26(2,3)23-13-15-24(16-14-23)32(30,31)28-19-21-9-11-22(12-10-21)25(29)27-18-17-20-7-5-4-6-8-20/h4-16,28H,17-19H2,1-3H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.2834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.603 g/mol  logS: -6.98584  SlogP: 4.70147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287066  Sterimol/B1: 3.19446  Sterimol/B2: 4.06633  Sterimol/B3: 4.10148
  Sterimol/B4: 5.64828  Sterimol/L: 25.3845 
 
 Surface and Volume Properties
  Accessible surface: 791.673  Positive charged surface: 454.221  Negative charged surface: 337.452  Volume: 443.875
  Hydrophobic surface: 610.566  Hydrophilic surface: 181.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.