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CHEMDIV-ZINC03022968

 MMsINC code: MMs00903416
Type: Neutral
Formula: C26H26F2N2O3S
SMILES:   S(=O)(=O)(N1CCC(CC1)Cc1ccccc1)c1cc(ccc1F)C(=O)Nc1cc(F)c(cc1)
C
InChI:   InChI=1/C26H26F2N2O3S/c1-18-7-9-22(17-24(18)28)29-26(31)21-8-10-23(27)25(16-21)34(32,33)30-13-11-20(12-14-30)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.567 g/mol  logS: -6.79039  SlogP: 5.16889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635597  Sterimol/B1: 4.39271  Sterimol/B2: 4.41251  Sterimol/B3: 4.60187
  Sterimol/B4: 8.2521  Sterimol/L: 20.9205 
 
 Surface and Volume Properties
  Accessible surface: 751.399  Positive charged surface: 424.45  Negative charged surface: 326.949  Volume: 438
  Hydrophobic surface: 655.776  Hydrophilic surface: 95.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.