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CHEMDIV-ZINC02724797

 MMsINC code: MMs00887103
Type: Neutral
Formula: C26H26FN3O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1c
cccc1
InChI:   InChI=1/C26H26FN3O4S/c1-3-29(4-2)35(33,34)21-13-10-19(11-14-21)26(32)30-17-24(31)28-23-15-12-20(27)16-22(23)25(30)18-8-6-5-7-9-18/h5-16,25H,3-4,17H2,1-2H3,(H,28,31)/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 495.575 g/mol  logS: -6.17471  SlogP: 4.1356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221655  Sterimol/B1: 2.92353  Sterimol/B2: 4.73734  Sterimol/B3: 5.59783
  Sterimol/B4: 8.43616  Sterimol/L: 15.4403 
 
 Surface and Volume Properties
  Accessible surface: 698.746  Positive charged surface: 365.642  Negative charged surface: 333.103  Volume: 444.125
  Hydrophobic surface: 508.632  Hydrophilic surface: 190.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.