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CHEMDIV-ZINC02724811

 MMsINC code: MMs00887115
Type: Neutral
Formula: C26H24FN3O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1
ccccc1
InChI:   InChI=1/C26H24FN3O5S/c27-20-8-11-23-22(16-20)25(18-4-2-1-3-5-18)30(17-24(31)28-23)26(32)19-6-9-21(10-7-19)36(33,34)29-12-14-35-15-13-29/h1-11,16,25H,12-15,17H2,(H,28,31)/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.45 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.558 g/mol  logS: -5.81177  SlogP: 3.126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121202  Sterimol/B1: 2.5556  Sterimol/B2: 2.62981  Sterimol/B3: 7.28781
  Sterimol/B4: 8.57327  Sterimol/L: 17.8677 
 
 Surface and Volume Properties
  Accessible surface: 713.4  Positive charged surface: 404.908  Negative charged surface: 308.492  Volume: 442.25
  Hydrophobic surface: 549.4  Hydrophilic surface: 164
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.