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ENAMINE-ZINC03216513

 MMsINC code: MMs01310412
Type: Neutral
Formula: C27H24N2O3S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H24N2O3S/c30-27(29-26(22-13-6-2-7-14-22)23-15-8-3-9-16-23)24-17-10-18-25(19-24)33(31,32)28-20-21-11-4-1-5-12-21/h1-19,26,28H,20H2,(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.4598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.566 g/mol  logS: -6.67269  SlogP: 5.0464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127094  Sterimol/B1: 3.95965  Sterimol/B2: 3.96091  Sterimol/B3: 6.89773
  Sterimol/B4: 7.22813  Sterimol/L: 18.2313 
 
 Surface and Volume Properties
  Accessible surface: 772.09  Positive charged surface: 386.461  Negative charged surface: 385.629  Volume: 436.625
  Hydrophobic surface: 659.048  Hydrophilic surface: 113.042
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.