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CHEMDIV-ZINC03624148

 MMsINC code: MMs00911679
Type: Neutral
Formula: C28H26F2N2O5S2
SMILES:   S(=O)(=O)(N(Cc1ccccc1F)c1ccc(Oc2ccc(N(S(=O)(=O)C)Cc3ccccc3F)
cc2)cc1)C
InChI:   InChI=1/C28H26F2N2O5S2/c1-38(33,34)31(19-21-7-3-5-9-27(21)29)23-11-15-25(16-12-23)37-26-17-13-24(14-18-26)32(39(2,35)36)20-22-8-4-6-10-28(22)30/h3-18H,19-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 572.653 g/mol  logS: -7.12047  SlogP: 6.2223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459189  Sterimol/B1: 3.0924  Sterimol/B2: 3.40772  Sterimol/B3: 5.09516
  Sterimol/B4: 7.30226  Sterimol/L: 22.4898 
 
 Surface and Volume Properties
  Accessible surface: 794.963  Positive charged surface: 421.814  Negative charged surface: 373.15  Volume: 491.5
  Hydrophobic surface: 673.505  Hydrophilic surface: 121.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.