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ENAMINE-ZINC03283866

 MMsINC code: MMs01349479
Type: Neutral
Formula: C23H20F2N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)Nc1ccccc1OC(F)F)=O
InChI:   InChI=1/C23H20F2N2O6S/c1-27(17-7-3-2-4-8-17)34(30,31)18-13-11-16(12-14-18)22(29)32-15-21(28)26-19-9-5-6-10-20(19)33-23(24)25/h2-14,23H,15H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.483 g/mol  logS: -5.63471  SlogP: 4.3285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346962  Sterimol/B1: 2.48684  Sterimol/B2: 4.28488  Sterimol/B3: 4.34931
  Sterimol/B4: 7.16735  Sterimol/L: 21.7992 
 
 Surface and Volume Properties
  Accessible surface: 742.356  Positive charged surface: 396.969  Negative charged surface: 345.387  Volume: 415.25
  Hydrophobic surface: 522.323  Hydrophilic surface: 220.033
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.