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ENAMINE-ZINC03204691

 MMsINC code: MMs01305464
Type: Neutral
Formula: C26H17NO6S2
SMILES:   s1c(cc(NC(=O)c2cc3S(=O)(=O)c4c(cccc4)C(=O)c3cc2)c1C(OC)=O)-c
1ccccc1
InChI:   InChI=1/C26H17NO6S2/c1-33-26(30)24-19(14-20(34-24)15-7-3-2-4-8-15)27-25(29)16-11-12-18-22(13-16)35(31,32)21-10-6-5-9-17(21)23(18)28/h2-14H,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.78 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.555 g/mol  logS: -8.33031  SlogP: 4.8312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00606376  Sterimol/B1: 2.11569  Sterimol/B2: 2.50479  Sterimol/B3: 3.74422
  Sterimol/B4: 12.0596  Sterimol/L: 21.1336 
 
 Surface and Volume Properties
  Accessible surface: 744.187  Positive charged surface: 364.024  Negative charged surface: 380.163  Volume: 426.5
  Hydrophobic surface: 585.98  Hydrophilic surface: 158.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.