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ENAMINE-ZINC03420507

 MMsINC code: MMs01431650
Type: Neutral
Formula: C26H24N2O3S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccccc1C(=O)NC(C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C26H24N2O3S/c1-19(21-17-16-20-10-6-7-11-22(20)18-21)27-26(29)24-14-8-9-15-25(24)32(30,31)28(2)23-12-4-3-5-13-23/h3-19H,1-2H3,(H,27,29)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.555 g/mol  logS: -7.24142  SlogP: 5.2514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806961  Sterimol/B1: 2.34417  Sterimol/B2: 3.34427  Sterimol/B3: 6.19343
  Sterimol/B4: 7.93385  Sterimol/L: 20.7823 
 
 Surface and Volume Properties
  Accessible surface: 711.792  Positive charged surface: 386.246  Negative charged surface: 313.346  Volume: 420.75
  Hydrophobic surface: 634.866  Hydrophilic surface: 76.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.