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ASINEX-ZINC00918174

 MMsINC code: MMs00219720
Type: Neutral
Formula: C26H23FN2O6S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)Cc1ccc(F)cc1)c1cc(ccc1)C(
OC)=O
InChI:   InChI=1/C26H23FN2O6S/c1-34-22-10-11-24-19(13-22)12-20(25(30)28-24)16-29(15-17-6-8-21(27)9-7-17)36(32,33)23-5-3-4-18(14-23)26(31)35-2/h3-14H,15-16H2,1-2H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.542 g/mol  logS: -6.42767  SlogP: 4.1139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735045  Sterimol/B1: 3.4871  Sterimol/B2: 3.92395  Sterimol/B3: 4.50075
  Sterimol/B4: 6.841  Sterimol/L: 19.0566 
 
 Surface and Volume Properties
  Accessible surface: 678.428  Positive charged surface: 396.699  Negative charged surface: 281.729  Volume: 446.625
  Hydrophobic surface: 542.365  Hydrophilic surface: 136.063
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.