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ENAMINE-ZINC03477555

 MMsINC code: MMs01464232
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OC(C(=O)Nc1ccccc1F)C)=O
InChI:   InChI=1/C24H23FN2O6S/c1-16(23(28)26-20-9-5-4-8-19(20)25)33-24(29)17-12-14-18(15-13-17)34(30,31)27(2)21-10-6-7-11-22(21)32-3/h4-16H,1-3H3,(H,26,28)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -6.17303  SlogP: 3.8434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0810359  Sterimol/B1: 2.31515  Sterimol/B2: 4.18601  Sterimol/B3: 5.79108
  Sterimol/B4: 7.90017  Sterimol/L: 21.7483 
 
 Surface and Volume Properties
  Accessible surface: 742.236  Positive charged surface: 428.837  Negative charged surface: 313.399  Volume: 430
  Hydrophobic surface: 600.479  Hydrophilic surface: 141.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.