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ENAMINE-ZINC03477993

 MMsINC code: MMs01464464
Type: Neutral
Formula: C25H23FN2O5S
SMILES:   S(=O)(=O)(N(CC=C)c1ccccc1)c1cc(ccc1)C(OCC(=O)Nc1cc(F)ccc1C)=
O
InChI:   InChI=1/C25H23FN2O5S/c1-3-14-28(21-9-5-4-6-10-21)34(31,32)22-11-7-8-19(15-22)25(30)33-17-24(29)27-23-16-20(26)13-12-18(23)2/h3-13,15-16H,1,14,17H2,2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.532 g/mol  logS: -6.45214  SlogP: 4.31092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443784  Sterimol/B1: 3.41338  Sterimol/B2: 3.82645  Sterimol/B3: 5.38232
  Sterimol/B4: 7.10049  Sterimol/L: 21.3735 
 
 Surface and Volume Properties
  Accessible surface: 770.781  Positive charged surface: 418.604  Negative charged surface: 352.178  Volume: 436.75
  Hydrophobic surface: 603.62  Hydrophilic surface: 167.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.